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Benzeneacetic acid, .alpha.-cyclohexyl-.alpha.-hydroxy-, 2-propynyl ester
SpectraBase Compound ID IGtXNVeawwb
InChI InChI=1S/C17H20O3/c1-2-13-20-16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h1,3,5-6,9-10,15,19H,4,7-8,11-13H2
InChIKey AJMCXHIWBCITDU-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6lLcsU0wVB
Name Benzeneacetic acid, .alpha.-cyclohexyl-.alpha.-hydroxy-, 2-propynyl ester
CAS Registry Number 81039-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-2-13-20-16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h1,3,5-6,9-10,15,19H,4,7-8,11-13H2
InChIKey AJMCXHIWBCITDU-UHFFFAOYSA-N
Molecular Weight 272.344 g/mol
SMILES OC(C(=O)OCC#C)(c1ccccc1)C1CCCCC1
SPLASH splash10-0a4r-2900000000-ebf9a77bc4111fa50cb8
Source of Spectrum KO-8-507-0
Synonyms 2-Propynyl 2-cyclohexyl-2-phenylglycolic acid 2-Propynyl cyclohexyl(hydroxy)phenylacetate 2-cyclohexyl-2-hydroxy-2-phenylacetic acid prop-2-ynyl ester Prop-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Prop-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate Prop-2-ynyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate
Wiley ID 1276431