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2,2-Dimethyl-5-phenylpent-4-ynoic acid cyclopropylphenylmethyl ester
SpectraBase Compound ID FHy2gMSguOl
InChI InChI=1S/C23H24O2/c1-23(2,17-9-12-18-10-5-3-6-11-18)22(24)25-21(20-15-16-20)19-13-7-4-8-14-19/h3-8,10-11,13-14,20-21H,15-17H2,1-2H3
InChIKey KMCCFCCGIPXQGH-UHFFFAOYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C23H24O2
Exact Mass 332.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XgLoQgj1yK
Name 2,2-Dimethyl-5-phenylpent-4-ynoic acid cyclopropylphenylmethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O2
InChI InChI=1S/C23H24O2/c1-23(2,17-9-12-18-10-5-3-6-11-18)22(24)25-21(20-15-16-20)19-13-7-4-8-14-19/h3-8,10-11,13-14,20-21H,15-17H2,1-2H3
InChIKey KMCCFCCGIPXQGH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8019567
Molecular Weight 332.443 g/mol
SMILES C(C(OC(C1CC1)c1ccccc1)=O)(C)(CC#Cc1ccccc1)C
SPLASH splash10-001i-2900000000-7aff1113eba297629fcb
Source of Spectrum A1-10-5119/SMS6-1k
Synonyms Cyclopropyl(phenyl)methyl 2,2-dimethyl-5-phenylpent-4-ynoate
Wiley ID 1759984