For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Hexanoic acid, 4,4-dimethyl-3-methylene-5-oxo-
SpectraBase Compound ID Ayx7vRaMO53
InChI InChI=1S/C9H14O3/c1-6(5-8(11)12)9(3,4)7(2)10/h1,5H2,2-4H3,(H,11,12)
InChIKey OOPLUIIOACUCLL-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7rfqqOyoeOh
Name Hexanoic acid, 4,4-dimethyl-3-methylene-5-oxo-
CAS Registry Number 6994-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-6(5-8(11)12)9(3,4)7(2)10/h1,5H2,2-4H3,(H,11,12)
InChIKey OOPLUIIOACUCLL-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES OC(CC(C(C(C)=O)(C)C)=C)=O
SPLASH splash10-000x-9200000000-6001382c04279682dc35
Source of Spectrum T-68-1570-0
Synonyms 3-(1,1-Dimethyl-2-oxopropyl)-3-butenoic acid 3-(2-keto-1,1-dimethyl-propyl)but-3-enoic acid 4,4-Dimethyl-3-methylene-5-oxo-hexanoic acid 4,4-Dimethyl-3-methylidene-5-oxidanylidene-hexanoic acid 4,4-Dimethyl-3-methylidene-5-oxohexanoic acid
Wiley ID 15546