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2,2-Dimethyl-5-phenylpent-4-ynoic acid-1-phenylethyl ester
SpectraBase Compound ID 97lpwRdIXC4
InChI InChI=1S/C21H22O2/c1-17(19-14-8-5-9-15-19)23-20(22)21(2,3)16-10-13-18-11-6-4-7-12-18/h4-9,11-12,14-15,17H,16H2,1-3H3
InChIKey JOIPTGNASVSOQJ-UHFFFAOYSA-N
Mol Weight 306.41 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7wmW31TqPQ
Name 2,2-Dimethyl-5-phenylpent-4-ynoic acid-1-phenylethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O2
InChI InChI=1S/C21H22O2/c1-17(19-14-8-5-9-15-19)23-20(22)21(2,3)16-10-13-18-11-6-4-7-12-18/h4-9,11-12,14-15,17H,16H2,1-3H3
InChIKey JOIPTGNASVSOQJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8019567
Molecular Weight 306.405 g/mol
SMILES C(C(OC(C)c1ccccc1)=O)(CC#Cc1ccccc1)(C)C
SPLASH splash10-0a4i-1910000000-64eaa0624dfbaf7b13dd
Source of Spectrum A1-10-5119/SMS2-1a
Synonyms 1-Phenylethyl 2,2-dimethyl-5-phenylpent-4-ynoate
Wiley ID 1759979