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2,2-Dimethyl-5-phenylpent-4-ynoic acid 1-phenylpropyl ester
SpectraBase Compound ID FKKpyj9IMN7
InChI InChI=1S/C22H24O2/c1-4-20(19-15-9-6-10-16-19)24-21(23)22(2,3)17-11-14-18-12-7-5-8-13-18/h5-10,12-13,15-16,20H,4,17H2,1-3H3
InChIKey LMAVFLWPTYYYAT-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 9vr1mmLVOnT
Name 2,2-Dimethyl-5-phenylpent-4-ynoic acid 1-phenylpropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O2
InChI InChI=1S/C22H24O2/c1-4-20(19-15-9-6-10-16-19)24-21(23)22(2,3)17-11-14-18-12-7-5-8-13-18/h5-10,12-13,15-16,20H,4,17H2,1-3H3
InChIKey LMAVFLWPTYYYAT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8019567
Molecular Weight 320.432 g/mol
SMILES C(C(OC(CC)c1ccccc1)=O)(CC#Cc1ccccc1)(C)C
SPLASH splash10-0006-9410000000-fcca323c8a475726b28a
Source of Spectrum A1-10-5119/SMS3-1b
Synonyms 1-Phenylpropyl 2,2-dimethyl-5-phenylpent-4-ynoate
Wiley ID 1759980