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6-Hydroxy-6-methyl-8-phenyl-7-octynoic acid ethyl ester
SpectraBase Compound ID FF3d1LMRiv2
InChI InChI=1S/C17H22O3/c1-3-20-16(18)11-7-8-13-17(2,19)14-12-15-9-5-4-6-10-15/h4-6,9-10,19H,3,7-8,11,13H2,1-2H3
InChIKey MIKCSPWZYBBGGS-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yrIPMvXSvE
Name 6-Hydroxy-6-methyl-8-phenyl-7-octynoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-3-20-16(18)11-7-8-13-17(2,19)14-12-15-9-5-4-6-10-15/h4-6,9-10,19H,3,7-8,11,13H2,1-2H3
InChIKey MIKCSPWZYBBGGS-UHFFFAOYSA-N
Molecular Weight 274.360 g/mol
SMILES OC(C#Cc1ccccc1)(CCCCC(=O)OCC)C
SPLASH splash10-0lfr-4900000000-d2223aebd58ce56c3669
Source of Spectrum QB-17-383-16
Synonyms 6-Hydroxy-6-methyl-8-phenyl-oct-7-ynoic acid ethyl ester Ethyl 6-hydroxy-6-methyl-8-phenyl-7-octynoate Ethyl 6-hydroxy-6-methyl-8-phenyl-oct-7-ynoate Ethyl 6-methyl-6-oxidanyl-8-phenyl-oct-7-ynoate
Wiley ID 841671