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3-(4-Chlorobutyl)-8-methyl-4-phenyl-1H-isochromen-1-one
SpectraBase Compound ID JPnrP3FqKD6
InChI InChI=1S/C20H19ClO2/c1-14-8-7-11-16-18(14)20(22)23-17(12-5-6-13-21)19(16)15-9-3-2-4-10-15/h2-4,7-11H,5-6,12-13H2,1H3
InChIKey RDKOAFNXXLITPG-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 73jxmS1YJA9
Name 3-(4-Chlorobutyl)-8-methyl-4-phenyl-1H-isochromen-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.107357550 u
Formula C20H19ClO2
InChI InChI=1S/C20H19ClO2/c1-14-8-7-11-16-18(14)20(22)23-17(12-5-6-13-21)19(16)15-9-3-2-4-10-15/h2-4,7-11H,5-6,12-13H2,1H3
InChIKey RDKOAFNXXLITPG-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(C3=CC=CC=C3)=C(OC(=O)C2C1C)CCCCCl
SPLASH splash10-004i-0079000000-69f58fdab56deba74b13
Source of Spectrum ACI-57-SM21-3an' (DOI: 10.1002/anie.201802748)
Wiley ID 1890951