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2,2-Dimethyl-5-phenylpent-4-ynoic acid-1-(4-chlorophenyl)ethyl ester
SpectraBase Compound ID 54GQ8gO1pJ2
InChI InChI=1S/C21H21ClO2/c1-16(18-11-13-19(22)14-12-18)24-20(23)21(2,3)15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16H,15H2,1-3H3
InChIKey PJJRIJNBUMHIKM-UHFFFAOYSA-N
Mol Weight 340.85 g/mol
Molecular Formula C21H21ClO2
Exact Mass 340.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxJLdlDbFTt
Name 2,2-Dimethyl-5-phenylpent-4-ynoic acid-1-(4-chlorophenyl)ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClO2
InChI InChI=1S/C21H21ClO2/c1-16(18-11-13-19(22)14-12-18)24-20(23)21(2,3)15-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,16H,15H2,1-3H3
InChIKey PJJRIJNBUMHIKM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8019567
Molecular Weight 340.850 g/mol
SMILES C(C(OC(c1ccc(cc1)Cl)C)=O)(C)(CC#Cc1ccccc1)C
SPLASH splash10-0f79-0900000000-853da160b5496f3315dc
Source of Spectrum A1-10-5119/SMS3-1c
Synonyms 1-(4-Chlorophenyl)ethyl 2,2-dimethyl-5-phenylpent-4-ynoate
Wiley ID 1759981