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3,3-Dimethyl-6-phenyl-5-(1-phenylhept-2-ynyl)-3,4-dihydropyran-2-one
SpectraBase Compound ID JlC23vIWHGE
InChI InChI=1S/C26H28O2/c1-4-5-6-13-18-22(20-14-9-7-10-15-20)23-19-26(2,3)25(27)28-24(23)21-16-11-8-12-17-21/h7-12,14-17,22H,4-6,19H2,1-3H3
InChIKey LFEHJVCGSBQUBX-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 2pY2a0f4oUB
Name 3,3-Dimethyl-6-phenyl-5-(1-phenylhept-2-ynyl)-3,4-dihydropyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O2
InChI InChI=1S/C26H28O2/c1-4-5-6-13-18-22(20-14-9-7-10-15-20)23-19-26(2,3)25(27)28-24(23)21-16-11-8-12-17-21/h7-12,14-17,22H,4-6,19H2,1-3H3
InChIKey LFEHJVCGSBQUBX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8019567
Molecular Weight 372.508 g/mol
SMILES c1(ccccc1)C1=C(CC(C)(C(=O)O1)C)C(c1ccccc1)C#CCCCC
SPLASH splash10-0a6r-5920000000-bb1765b08a2dd935fc4f
Source of Spectrum A1-10-5119/SMS12-2l
Synonyms 3,3-Dimethyl-6-phenyl-5-(1-phenylhept-2-yn-1-yl)-3,4-dihydro-2H-pyran-2-one
Wiley ID 1759994