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3-Butyl-4-[(2E)-3-phenylprop-2-en-1-yl]-1H-isochromen-1-one
SpectraBase Compound ID AVUXRwgRS36
InChI InChI=1S/C22H22O2/c1-2-3-16-21-19(15-9-12-17-10-5-4-6-11-17)18-13-7-8-14-20(18)22(23)24-21/h4-14H,2-3,15-16H2,1H3/b12-9+
InChIKey FWLWBNSSWYFJLD-FMIVXFBMSA-N
Mol Weight 318.42 g/mol
Molecular Formula C22H22O2
Exact Mass 318.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84X6Ae9qKks
Name 3-Butyl-4-[(2E)-3-phenylprop-2-en-1-yl]-1H-isochromen-1-one
Alternate Name(s) 3-Butyl-4-cinnamyl-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O2
InChI InChI=1S/C22H22O2/c1-2-3-16-21-19(15-9-12-17-10-5-4-6-11-17)18-13-7-8-14-20(18)22(23)24-21/h4-14H,2-3,15-16H2,1H3/b12-9+
InChIKey FWLWBNSSWYFJLD-FMIVXFBMSA-N
Literature Reference DOI 10.1002/adsc.201000044
Molecular Weight 318.416 g/mol
SMILES c1ccc2C(C\C=C\c3ccccc3)=C(CCCC)OC(c2c1)=O
SPLASH splash10-014i-2195000000-4a4c6dac3529e265ff32
Source of Spectrum ASC-354-133/SM65-22
Wiley ID 1762592