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6-Pentanoylcyclohex-3-ene-1-carboxylic acid
SpectraBase Compound ID 59QPB8wdY8a
InChI InChI=1S/C12H18O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,15)
InChIKey APXOSKXRSIVYHT-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6i5hUFe5ra
Name 6-Pentanoylcyclohex-3-ene-1-carboxylic acid
Alternate Name(s) 6-(1-oxopentyl)-1-cyclohex-3-enecarboxylic acid 6-Valerylcyclohex-3-ene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-5,9-10H,2-3,6-8H2,1H3,(H,14,15)
InChIKey APXOSKXRSIVYHT-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES OC(C1C(C(=O)CCCC)CC=CC1)=O
SPLASH splash10-004i-9800000000-49d90197d491e8fab0af
Source of Spectrum SK-27-1791-8
Wiley ID 867890