NMRShiftDB - open nmr database on the web

Details

Spectral Data

Additional Data

Molecule	10008950
Chemical name(s)	Menthol
Chemical formula	C₁₀H₂₀O
Molecular weight	156.265
Number of double bond equivalents (DBEs)	1.0
Number of all rings, size of smallest set of smallest rings	1, 1
Canonical name(s)	OC1CC(C)CCC1(C(C)C) (SMILES) 2-isopropyl-5-methylcyclohexan... (truncated) (IUPAC from ACD/Name) cyclohexanol, 5-methyl-2-(1-me... (truncated) (Index from ACD/Name) InChI=1/C10H20O/c1-7(2)9-5-4-8... (truncated) (INChI) NOOLISFMXDJSKH-UHFFFAOYAE (InChI Key)
CAS-Number	89-78-1
Additional information	NCI Database; Deposition in PubChem; Compound in PubChem; http://www.sciencesoft.net/menthol/index.html;
Molecule keywords
Spectrum	10038276 Rating: 10
Type	13C
Measurement conditions
Assignment Method	Unreported
Field Strength [MHz]	Unreported
Temperature [K]	Unreported
Solvent	Unreported
Literature	S. Berger;S. Braun;H.-O. Kalinowski: 13-C-NMR-Spektroskopie, New York: Thieme Verlag 1984.
Additional comments	587.MOL; Multiplicities generated automatically from H count
Additional information
Spectrum categories

Spectrum	10014489 Rating: 10
Type	13C
Measurement conditions
Temperature [K]	298
Solvent	Chloroform-D1 (CDCl3)
Field Strength [MHz]	Unreported
Literature
Additional comments	DKFZ 'spektren' database: TMS/; No temperature information available, assumed 298 K.; Multiplicities generated automatically from H count
Additional information
Spectrum categories	dkfz spektren database