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Methyl 4-(cis-3-(ethoxycarbonyl)cyclohexyl)benzoate
SpectraBase Compound ID Am8BKetnym4
InChI InChI=1S/C17H22O4/c1-3-21-17(19)15-6-4-5-14(11-15)12-7-9-13(10-8-12)16(18)20-2/h7-10,14-15H,3-6,11H2,1-2H3/t14-,15-/m1/s1
InChIKey ACGSYUQPXBYCRP-HUUCEWRRSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63sJ5MnG9Iz
Name Methyl 4-(cis-3-(ethoxycarbonyl)cyclohexyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-3-21-17(19)15-6-4-5-14(11-15)12-7-9-13(10-8-12)16(18)20-2/h7-10,14-15H,3-6,11H2,1-2H3/t14-,15-/m1/s1
InChIKey ACGSYUQPXBYCRP-HUUCEWRRSA-N
Literature Reference DOI 10.1021/ol403673e
Molecular Weight 290.359 g/mol
SMILES C1C[C@](C[C@@](C1)(C(OCC)=O)[H])(c1ccc(C(OC)=O)cc1)[H]
SPLASH splash10-00kf-1790000000-13a78401cdbe63ebf051
Source of Spectrum A1-16-924/SM42-3ba
Synonyms Methyl 4-((1R,3R)-3-(ethoxycarbonyl)cyclohexyl)benzoate
Wiley ID 1747720