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2-Butenoic acid, 3-(4-methyl-3-cyclohexen-1-yl)-, ethyl ester, (E)-
SpectraBase Compound ID 7v6N5WM39dT
InChI InChI=1S/C13H20O2/c1-4-15-13(14)9-11(3)12-7-5-10(2)6-8-12/h5,9,12H,4,6-8H2,1-3H3/b11-9+
InChIKey BXDLFQPNLYGIPE-PKNBQFBNSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HSOLwB4k77
Name 2-Butenoic acid, 3-(4-methyl-3-cyclohexen-1-yl)-, ethyl ester, (E)-
Alternate Name(s) Ethyl (2E)-3-(4-methyl-3-cyclohexen-1-yl)-2-butenoate Ethyl ester of (E) and (Z)-2-(4-methyl-3-cyclohexen-1-yl)-2-butenoic acid
CAS Registry Number 73416-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-4-15-13(14)9-11(3)12-7-5-10(2)6-8-12/h5,9,12H,4,6-8H2,1-3H3/b11-9+
InChIKey BXDLFQPNLYGIPE-PKNBQFBNSA-N
Molecular Weight 208.301 g/mol
SMILES C1(\C(=C\C(=O)OCC)C)CC=C(CC1)C
SPLASH splash10-00kf-9310000000-7a3f2738385f340b390f
Source of Spectrum H-62-2729-0
Wiley ID 1207113