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2-Butenoic acid, 4-(3-oxocyclohexyl)-, ethyl ester, (E)-
SpectraBase Compound ID 8Lz07Fel1Km
InChI InChI=1S/C12H18O3/c1-2-15-12(14)8-4-6-10-5-3-7-11(13)9-10/h4,8,10H,2-3,5-7,9H2,1H3/b8-4+
InChIKey AHCUWQSVUUWVFC-XBXARRHUSA-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 AhHR5hLNqX2
Name 2-Butenoic acid, 4-(3-oxocyclohexyl)-, ethyl ester, (E)-
Alternate Name(s) Ethyl (2E)-4-(3-oxocyclohexyl)-2-butenoate
CAS Registry Number 98269-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-2-15-12(14)8-4-6-10-5-3-7-11(13)9-10/h4,8,10H,2-3,5-7,9H2,1H3/b8-4+
InChIKey AHCUWQSVUUWVFC-XBXARRHUSA-N
Molecular Weight 210.273 g/mol
SMILES C(\C=C\CC1CC(=O)CCC1)(=O)OCC
SPLASH splash10-00kb-9700000000-3303b678220a12b03521
Source of Spectrum J-50-4305-5
Wiley ID 1209240