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2-Butenoic acid, 3-methyl-, hexyl ester
SpectraBase Compound ID IGcCq59OTAT
InChI InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h9H,4-8H2,1-3H3
InChIKey OGBQOQXYUCEIHB-UHFFFAOYSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzQnVsMIryu
Name 2-Butenoic acid, 3-methyl-, hexyl ester
Alternate Name(s) 3-Methyl-2-butenoic acid hexyl ester 3-Methylbut-2-enoic acid hexyl ester Hexyl 3-methyl-2-butenoate Hexyl 3-methylbut-2-enoate
CAS Registry Number 17627-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h9H,4-8H2,1-3H3
InChIKey OGBQOQXYUCEIHB-UHFFFAOYSA-N
Molecular Weight 184.279 g/mol
SMILES C(C(=O)OCCCCCC)=C(C)C
SPLASH splash10-0zfr-9600000000-b3700a1eb752ca1c4a36
Source of Spectrum MG-600-0-0
Wiley ID 1180850