NMRShiftDB - open nmr database on the web

Details

Spectral Data

Additional Data

Molecule	30000421
Chemical name(s)	6-chloro-2,5-dimethyl-3,4-dihydro-2H-pyran-2-carbonyl chloride
Chemical formula	C₈H₁₀O₂Cl₂
Molecular weight	209.07
Number of double bond equivalents (DBEs)	3.0
Number of all rings, size of smallest set of smallest rings	1, 1
Canonical name(s)	O=C(C1(OC(=C(C)CC1)Cl)(C))Cl (SMILES) InChI=1/C8H10Cl2O2/c1-5-3-4-8(... (truncated) (INChI) ASPQYZAUAABCLE-UHFFFAOYAN (InChI Key)
CAS-Number
Additional information	Deposition in PubChem; Compound in PubChem; NMRanalyst Sample Application: 6-Chloro-2,5-dimethyl-3,4-dihydro-2H-pyran-2-carbonyl chloride;
Molecule keywords
Spectrum	30000552 Rating: 10
Type	13C
Measurement conditions
Temperature [K]	298
Solvent	Chloroform-D1 (CDCl3)
Field Strength [MHz]	100.6
Assignment Method	hmqc / hmbc
Literature
Additional comments	mzdiv901
Additional information
Spectrum categories	ocmainz inhouse database

Spectrum	10081996 Rating: 10
Type	13C
Measurement conditions
Solvent	Chloroform-D1 (CDCl3)
Field Strength [MHz]	100.62
Assignment Method	hmqc / hmbc
Temperature [K]	Unreported
Literature
Additional comments
Additional information	NMRanalyst Sample Application: 6-Chloro-2,5-dimethyl-3,4-dihydro-2H-pyran-2-carbonyl chloride
Spectrum categories

Spectrum	10081997 Rating: 10
Type	1H
Measurement conditions
Solvent	Chloroform-D1 (CDCl3)
Field Strength [MHz]	400
Assignment Method	hmqc / hmbc
Temperature [K]	Unreported
Literature
Additional comments
Additional information	NMRanalyst Sample Application: 6-Chloro-2,5-dimethyl-3,4-dihydro-2H-pyran-2-carbonyl chloride
Spectrum categories