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4-(4-Chlorobutyl)-8-methyl-3-phenyl-1H-isochromen-1-one

View entire compound with spectra: 1 MS (GC)

4-(4-Chlorobutyl)-8-methyl-3-phenyl-1H-isochromen-1-one
SpectraBase Compound ID GhWdMVozaCa
InChI InChI=1S/C20H19ClO2/c1-14-8-7-12-16-17(11-5-6-13-21)19(23-20(22)18(14)16)15-9-3-2-4-10-15/h2-4,7-10,12H,5-6,11,13H2,1H3
InChIKey LBUYDUBWXYKVDJ-UHFFFAOYSA-N
Mol Weight 326.82 g/mol
Molecular Formula C20H19ClO2
Exact Mass 326.107358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BnMAHoFpg
Name 4-(4-Chlorobutyl)-8-methyl-3-phenyl-1H-isochromen-1-one
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.107357550 u
Formula C20H19ClO2
InChI InChI=1S/C20H19ClO2/c1-14-8-7-12-16-17(11-5-6-13-21)19(23-20(22)18(14)16)15-9-3-2-4-10-15/h2-4,7-10,12H,5-6,11,13H2,1H3
InChIKey LBUYDUBWXYKVDJ-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201802748
Molecular Weight 326.823 g/mol
Reported Formula C20H19(35)ClO2
SMILES C=1C=CC=2C(CCCCCl)=C(OC(=O)C2C1C)C1=CC=CC=C1
SPLASH splash10-0092-0093000000-214a5ccc7e0c3433b3c0
Source of Spectrum ACI-57-SM20-3an (DOI: 10.1002/anie.201802748)
Wiley ID 1890952