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2,2-Dimethyl-5-phenylpent-4-ynoic acid 1-phenylhept-2-ynyl ester
SpectraBase Compound ID 1cIWTIQawMD
InChI InChI=1S/C26H28O2/c1-4-5-6-13-20-24(23-18-11-8-12-19-23)28-25(27)26(2,3)21-14-17-22-15-9-7-10-16-22/h7-12,15-16,18-19,24H,4-6,21H2,1-3H3
InChIKey ZNFORSKGMKBJQZ-UHFFFAOYSA-N
Mol Weight 372.51 g/mol
Molecular Formula C26H28O2
Exact Mass 372.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vrFldCZE2n
Name 2,2-Dimethyl-5-phenylpent-4-ynoic acid 1-phenylhept-2-ynyl ester
Alternate Name(s) 1-Phenylhept-2-yn-1-yl 2,2-dimethyl-5-phenylpent-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O2
InChI InChI=1S/C26H28O2/c1-4-5-6-13-20-24(23-18-11-8-12-19-23)28-25(27)26(2,3)21-14-17-22-15-9-7-10-16-22/h7-12,15-16,18-19,24H,4-6,21H2,1-3H3
InChIKey ZNFORSKGMKBJQZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8019567
Molecular Weight 372.508 g/mol
SMILES C(C(OC(C#CCCCC)c1ccccc1)=O)(C)(CC#Cc1ccccc1)C
SPLASH splash10-00mo-3900000000-0119aba486132f27bd67
Source of Spectrum A1-10-5119/SMS6-1l
Wiley ID 1759985