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4-(4-Chloro-n-butyl)-6-methoxy-3-phenyl-1H-isochromen-1-one
SpectraBase Compound ID 1vejg8Dpm3A
InChI InChI=1S/C20H19ClO3/c1-23-15-10-11-17-18(13-15)16(9-5-6-12-21)19(24-20(17)22)14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKey JXPFBHXAXYTHCB-UHFFFAOYSA-N
Mol Weight 342.82 g/mol
Molecular Formula C20H19ClO3
Exact Mass 342.102272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qo9rHMW24
Name 4-(4-Chloro-n-butyl)-6-methoxy-3-phenyl-1H-isochromen-1-one
Alternate Name(s) 4-(4-Chlorobutyl)-6-methoxy-3-phenyl-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO3
InChI InChI=1S/C20H19ClO3/c1-23-15-10-11-17-18(13-15)16(9-5-6-12-21)19(24-20(17)22)14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKey JXPFBHXAXYTHCB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500600
Molecular Weight 342.822 g/mol
SMILES C1(OC(=C(c2cc(ccc12)OC)CCCCCl)c1ccccc1)=O
SPLASH splash10-014u-1294000000-111599d9d0d50b7f5e68
Source of Spectrum ACI-54-5513/SMS34-3ri
Wiley ID 1761187