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4-n-Butyl-3-(4-chlorophenyl)-8-methyl-1H-isochromen-1-one
SpectraBase Compound ID 2Lu9idXmu3v
InChI InChI=1S/C20H19ClO2/c1-3-4-7-17-16-8-5-6-13(2)18(16)20(22)23-19(17)14-9-11-15(21)12-10-14/h5-6,8-12H,3-4,7H2,1-2H3
InChIKey GHZKSWCKBXCZHC-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 BCgUdqu48BO
Name 4-n-Butyl-3-(4-chlorophenyl)-8-methyl-1H-isochromen-1-one
Alternate Name(s) 4-Butyl-3-(4-chlorophenyl)-8-methyl-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO2
InChI InChI=1S/C20H19ClO2/c1-3-4-7-17-16-8-5-6-13(2)18(16)20(22)23-19(17)14-9-11-15(21)12-10-14/h5-6,8-12H,3-4,7H2,1-2H3
InChIKey GHZKSWCKBXCZHC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500600
Molecular Weight 326.823 g/mol
SMILES C=1(CCCC)c2cccc(c2C(=O)OC1c1ccc(cc1)Cl)C
SPLASH splash10-0032-0495000000-fdcd5d50b130a1f0bf78
Source of Spectrum ACI-54-5513/SMS27-3ae
Wiley ID 1761148