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trans-Methyl 3-[2-(carbomethoxy)cyclohexyl]propanoate
SpectraBase Compound ID EW4JyfYIgNS
InChI InChI=1S/C12H20O4/c1-15-11(13)8-7-9-5-3-4-6-10(9)12(14)16-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKey YRCPVEYVRJDVBB-VHSXEESVSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DfUSLO818H
Name trans-Methyl 3-[2-(carbomethoxy)cyclohexyl]propanoate
CAS Registry Number 71195-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-15-11(13)8-7-9-5-3-4-6-10(9)12(14)16-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKey YRCPVEYVRJDVBB-VHSXEESVSA-N
Molecular Weight 228.288 g/mol
SMILES C([C@]1([C@](CCC(=O)OC)(CCCC1)[H])[H])(=O)OC
SPLASH splash10-0002-0900000000-d3877f80612cf1bb09ff
Source of Spectrum J-44-3479-0
Synonyms Methyl (1R,2S)-2-(3-methoxy-3-oxopropyl)cyclohexanecarboxylate
Wiley ID 1229515