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5-[1-(4-Chlorophenyl)-ethyl]-3,3-dimethyl-6-phenyl-3,4-dihydropyran-2-one
SpectraBase Compound ID yvLn54Hbzb
InChI InChI=1S/C21H21ClO2/c1-14(15-9-11-17(22)12-10-15)18-13-21(2,3)20(23)24-19(18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKey XNYRUWFOBDNUAX-UHFFFAOYSA-N
Mol Weight 340.85 g/mol
Molecular Formula C21H21ClO2
Exact Mass 340.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gZEeFEBM0
Name 5-[1-(4-Chlorophenyl)-ethyl]-3,3-dimethyl-6-phenyl-3,4-dihydropyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClO2
InChI InChI=1S/C21H21ClO2/c1-14(15-9-11-17(22)12-10-15)18-13-21(2,3)20(23)24-19(18)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKey XNYRUWFOBDNUAX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8019567
Molecular Weight 340.850 g/mol
SMILES C1(CC(C(c2ccc(cc2)Cl)C)=C(c2ccccc2)OC1=O)(C)C
SPLASH splash10-0adi-9501000000-e98b921ed3a1794f0fb7
Source of Spectrum A1-10-5119/SMS9-2c
Synonyms 5-(1-(4-chlorophenyl)ethyl)-3,3-dimethyl-6-phenyl-3,4-dihydro-2H-pyran-2-one
Wiley ID 1759988