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(1R*,2R*,3S*)-3-Carbethoxy-2-(2-propenyl)cyclohexanecarboxylic acid
SpectraBase Compound ID CLLMOqdmCcc
InChI InChI=1S/C13H20O4/c1-3-6-9-10(12(14)15)7-5-8-11(9)13(16)17-4-2/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,14,15)/b6-3+/t9-,10-,11+/m1/s1
InChIKey SNRCOMFOLOADSH-BCZGSGNNSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5momxPy5IK
Name (1R*,2R*,3S*)-3-Carbethoxy-2-(2-propenyl)cyclohexanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-3-6-9-10(12(14)15)7-5-8-11(9)13(16)17-4-2/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,14,15)/b6-3+/t9-,10-,11+/m1/s1
InChIKey SNRCOMFOLOADSH-BCZGSGNNSA-N
Molecular Weight 240.299 g/mol
SMILES OC([C@]1([C@]([C@@](C(=O)OCC)(CCC1)[H])(\C=C\C)[H])[H])=O
SPLASH splash10-006w-9810000000-b71dc7ce25ca84a902ca
Source of Spectrum J-61-3877-3
Synonyms (1R,2R,3S)-3-carbethoxy-2-[(E)-prop-1-enyl]cyclohexanecarboxylic acid (1R*,2R*,3S*)-3-Carbethoxy-2-(1-propenyl)cyclohexanecarboxylic acid (1R,2R,3S)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]-1-cyclohexanecarboxylic acid (1R,2R,3S)-2-allyl-3-(ethoxycarbonyl)cyclohexanecarboxylic acid (1R,2R,3S)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]cyclohexane-1-carboxylic acid (1R,2R,3S)-3-ethoxycarbonyl-2-[(E)-prop-1-enyl]cyclohexanecarboxylic acid
Wiley ID 1242903