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3,5,5-trimethyl-2-cyclohexene-delta^1,alpha-acetic acid
SpectraBase Compound ID HbUfHIJB8Mv
InChI InChI=1S/C11H16O2/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h4-5H,6-7H2,1-3H3,(H,12,13)
InChIKey XWBQPQZWFVDRTI-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ih6H386OqTw
Name 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-8-4-9(5-10(12)13)7-11(2,3)6-8/h4-5H,6-7H2,1-3H3,(H,12,13)
InChIKey XWBQPQZWFVDRTI-UHFFFAOYSA-N
Instrument Name Finnigan MAT-311A
Ionization Type EI
Molecular Weight 180.247 g/mol
SMILES OC(C=C1CC(C)(C)CC(=C1)C)=O
SPLASH splash10-014i-0900000000-8da44ce93abbfa2ad3e7
Sample Comments E/Z mixture (2:1)
Source of Spectrum US20140221682A1
Wiley ID 1849867