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2,2-Dimethyl-5-phenylpent-4-ynoic acid 1-(4-tolyl)ethyl ester
SpectraBase Compound ID 9CAYxbU2UqY
InChI InChI=1S/C22H24O2/c1-17-12-14-20(15-13-17)18(2)24-21(23)22(3,4)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,18H,16H2,1-4H3
InChIKey DDYBHSIMFZTLIJ-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C22H24O2
Exact Mass 320.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IjSrTC4MaH
Name 2,2-Dimethyl-5-phenylpent-4-ynoic acid 1-(4-tolyl)ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O2
InChI InChI=1S/C22H24O2/c1-17-12-14-20(15-13-17)18(2)24-21(23)22(3,4)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,18H,16H2,1-4H3
InChIKey DDYBHSIMFZTLIJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8019567
Molecular Weight 320.432 g/mol
SMILES C(C(OC(c1ccc(cc1)C)C)=O)(C)(CC#Cc1ccccc1)C
SPLASH splash10-014i-0901000000-e2b521a4c6922a4a5991
Source of Spectrum A1-10-5119/SMS3-1d
Synonyms 1-(p-tolyl)ethyl 2,2-dimethyl-5-phenylpent-4-ynoate
Wiley ID 1759982