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2-Butenoic acid, 4-(1-hydroxy-2-cyclohexen-1-yl)-, ethyl ester, (E)-

View entire compound with spectra: 1 MS (GC)

2-Butenoic acid, 4-(1-hydroxy-2-cyclohexen-1-yl)-, ethyl ester, (E)-
SpectraBase Compound ID 1uOKynO0MME
InChI InChI=1S/C12H18O3/c1-2-15-11(13)7-6-10-12(14)8-4-3-5-9-12/h4,6-8,14H,2-3,5,9-10H2,1H3/b7-6+
InChIKey MJAMXYZBZZWSSD-VOTSOKGWSA-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 6yZOazpyEBx
Name 2-Butenoic acid, 4-(1-hydroxy-2-cyclohexen-1-yl)-, ethyl ester, (E)-
Alternate Name(s) Ethyl (2E)-4-(1-hydroxy-2-cyclohexen-1-yl)-2-butenoate
CAS Registry Number 98269-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-2-15-11(13)7-6-10-12(14)8-4-3-5-9-12/h4,6-8,14H,2-3,5,9-10H2,1H3/b7-6+
InChIKey MJAMXYZBZZWSSD-VOTSOKGWSA-N
Molecular Weight 210.273 g/mol
SMILES OC1(C\C=C\C(=O)OCC)C=CCCC1
SPLASH splash10-002b-9500000000-f73da6a34bb8e2f14777
Source of Spectrum J-50-4305-3
Wiley ID 1209239