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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:46643 - isobutyl nitrite
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ChEBI Ontology
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ChEBI Name
isobutyl nitrite
ChEBI ID
CHEBI:46643
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C4H9NO2
Net Charge
0
Average Mass
103.11980
Monoisotopic Mass
103.06333
InChI
InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
InChIKey
APNSGVMLAYLYCT-UHFFFAOYSA-N
SMILES
CC(C)CON=O
ChEBI Ontology
Outgoing
isobutyl nitrite (
CHEBI:46643
)
has functional parent
isobutanol (
CHEBI:46645
)
isobutyl nitrite (
CHEBI:46643
)
is a
nitrite esters (
CHEBI:46649
)
IUPAC Names
2-methylpropyl nitrite
isobutyl nitrite
Synonyms
Sources
IBN
ChemIDplus
Isobutylnitrit
ChEBI
nitrous acid, 2-methylpropyl ester
NIST Chemistry WebBook
nitrous acid, isobutyl ester
NIST Chemistry WebBook
Registry Numbers
Types
Sources
164413
Gmelin Registry Number
Gmelin
1699518
Beilstein Registry Number
ChemIDplus
542-56-3
CAS Registry Number
ChemIDplus
542-56-3
CAS Registry Number
NIST Chemistry WebBook
Last Modified
17 September 2007