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2-Cyclohexene-1-carboxylic acid, 4-(acetyloxy)-1-hydroxy-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID 99l5K5krqBk
InChI InChI=1S/C10H14O5/c1-7(11)15-8-3-5-10(13,6-4-8)9(12)14-2/h3,5,8,13H,4,6H2,1-2H3/t8-,10+/m0/s1
InChIKey FSHNOTJLLDHQRA-WCBMZHEXSA-N
Mol Weight 214.22 g/mol
Molecular Formula C10H14O5
Exact Mass 214.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8KbWGjDtqq
Name 2-Cyclohexene-1-carboxylic acid, 4-(acetyloxy)-1-hydroxy-, methyl ester, trans-(.+-.)-
Alternate Name(s) Methyl (1S,4R)-4-(acetyloxy)-1-hydroxy-2-cyclohexene-1-carboxylate Methyl 1..beta.-hydroxy-4.alpha.-acetoxycyclohex-2-ene-1-carboxylate
CAS Registry Number 115162-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O5
InChI InChI=1S/C10H14O5/c1-7(11)15-8-3-5-10(13,6-4-8)9(12)14-2/h3,5,8,13H,4,6H2,1-2H3/t8-,10+/m0/s1
InChIKey FSHNOTJLLDHQRA-WCBMZHEXSA-N
Molecular Weight 214.217 g/mol
SMILES O[C@]1(C(=O)OC)C=C[C@](OC(=O)C)(CC1)[H]
SPLASH splash10-0002-9300000000-e68ed6aa5c0d5e677d1c
Source of Spectrum J-53-3264-11
Wiley ID 1213208