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(1R,2R,3S)-2-ethenyl-3-ethoxycarbonyl-1-cyclohexanecarboxylic acid
SpectraBase Compound ID D8U1atyueYg
InChI InChI=1S/C12H18O4/c1-3-8-9(11(13)14)6-5-7-10(8)12(15)16-4-2/h3,8-10H,1,4-7H2,2H3,(H,13,14)/t8-,9-,10+/m1/s1
InChIKey ITCYAWTYLZURJC-BBBLOLIVSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6isUYm88Ws
Name (1R,2R,3S)-2-ethenyl-3-ethoxycarbonyl-1-cyclohexanecarboxylic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-8-9(11(13)14)6-5-7-10(8)12(15)16-4-2/h3,8-10H,1,4-7H2,2H3,(H,13,14)/t8-,9-,10+/m1/s1
InChIKey ITCYAWTYLZURJC-BBBLOLIVSA-N
Molecular Weight 226.272 g/mol
SMILES OC([C@]1([C@]([C@@](C(=O)OCC)(CCC1)[H])(C=C)[H])[H])=O
SPLASH splash10-0560-2900000000-6c00517cd8920f4e12eb
Source of Spectrum J-61-3877-3
Synonyms (1R,2R,3S)-2-ethenyl-3-ethoxycarbonyl-cyclohexane-1-carboxylic acid (1R,2R,3S)-3-carbethoxy-2-vinyl-cyclohexanecarboxylic acid (1R,2R,3S)-2-ethenyl-3-ethoxycarbonylcyclohexane-1-carboxylic acid
Wiley ID 1227363