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2-Hexenoic acid, 3,4,4-trimethyl-5-oxo-, (Z)-
SpectraBase Compound ID CwiqKvfG6Em
InChI InChI=1S/C9H14O3/c1-6(5-8(11)12)9(3,4)7(2)10/h5H,1-4H3,(H,11,12)/b6-5-
InChIKey SEWNGIZDLCBMTA-WAYWQWQTSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AtelyHwjcF
Name 2-Hexenoic acid, 3,4,4-trimethyl-5-oxo-, (Z)-
Alternate Name(s) (2Z)-3,4,4-Trimethyl-5-oxo-2-hexenoic acid (Z)-3,4,4-trimethyl-5-oxidanylidene-hex-2-enoic acid (Z)-3,4,4-trimethyl-5-oxo-2-hexenoic acid (Z)-3,4,4-trimethyl-5-oxo-hex-2-enoic acid (Z)-5-keto-3,4,4-trimethyl-hex-2-enoic acid
CAS Registry Number 14919-56-3
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/h5H,1-4H3,(H,11,12)/b6-5-
InChIKey SEWNGIZDLCBMTA-WAYWQWQTSA-N
Molecular Weight 170.208 g/mol
SMILES OC(\C=C/(C(C(C)=O)(C)C)C)=O
SPLASH splash10-03dj-9400000000-93d9f6cef9a4e5c7da7e
Source of Spectrum T-68-1569-0
Wiley ID 15544