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4-Benzyl-3-butyl-1H-isochromen-1-one

View entire compound with spectra: 1 MS (GC)

4-Benzyl-3-butyl-1H-isochromen-1-one
SpectraBase Compound ID 4Lf3qR5ceaK
InChI InChI=1S/C20H20O2/c1-2-3-13-19-18(14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)20(21)22-19/h4-12H,2-3,13-14H2,1H3
InChIKey DMOWJHFEOFHDGD-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C20H20O2
Exact Mass 292.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 494xWrlX4N3
Name 4-Benzyl-3-butyl-1H-isochromen-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O2
InChI InChI=1S/C20H20O2/c1-2-3-13-19-18(14-15-9-5-4-6-10-15)16-11-7-8-12-17(16)20(21)22-19/h4-12H,2-3,13-14H2,1H3
InChIKey DMOWJHFEOFHDGD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000044
Molecular Weight 292.378 g/mol
SMILES c1ccc2c(c1)C(=O)OC(CCCC)=C2Cc1ccccc1
SPLASH splash10-0006-2490000000-1722059f7c65f4cf2354
Source of Spectrum ASC-354-145-26
Wiley ID 1762587