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3(4-methylphenyl)-4-[(2E)-3-phenylprop-2-en-1-yl]-1H-isochromen-1-one
SpectraBase Compound ID 1BAzMfJSDwe
InChI InChI=1S/C25H20O2/c1-18-14-16-20(17-15-18)24-22(13-7-10-19-8-3-2-4-9-19)21-11-5-6-12-23(21)25(26)27-24/h2-12,14-17H,13H2,1H3/b10-7+
InChIKey SQRJCXFEFMMANI-JXMROGBWSA-N
Mol Weight 352.43 g/mol
Molecular Formula C25H20O2
Exact Mass 352.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID d5kPwIS6i
Name 3(4-methylphenyl)-4-[(2E)-3-phenylprop-2-en-1-yl]-1H-isochromen-1-one
Alternate Name(s) 4-Cinnamyl-3-(p-tolyl)-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O2
InChI InChI=1S/C25H20O2/c1-18-14-16-20(17-15-18)24-22(13-7-10-19-8-3-2-4-9-19)21-11-5-6-12-23(21)25(26)27-24/h2-12,14-17H,13H2,1H3/b10-7+
InChIKey SQRJCXFEFMMANI-JXMROGBWSA-N
Literature Reference DOI 10.1002/adsc.201000044
Molecular Weight 352.433 g/mol
SMILES c1ccc2C(C\C=C\c3ccccc3)=C(c3ccc(cc3)C)OC(c2c1)=O
SPLASH splash10-0540-6290000000-6fd0f6c81285343f8fe4
Source of Spectrum ASC-354-133/SM64-32
Wiley ID 1762600