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3-Chloromethyl-5-(4-methoxybenzoyl)isothiazole

View entire compound with spectra: 1 MS (GC)

3-Chloromethyl-5-(4-methoxybenzoyl)isothiazole
SpectraBase Compound ID 7gPVLo5AWG5
InChI InChI=1S/C12H10ClNO2S/c1-16-10-4-2-8(3-5-10)12(15)11-6-9(7-13)14-17-11/h2-6H,7H2,1H3
InChIKey DYUNHDMKIAWKKQ-UHFFFAOYSA-N
Mol Weight 267.73 g/mol
Molecular Formula C12H10ClNO2S
Exact Mass 267.012077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xddn0QF5bU
Name 3-Chloromethyl-5-(4-methoxybenzoyl)isothiazole
Alternate Name(s) [3-(chloromethyl)-5-isothiazolyl](4-methoxyphenyl)methanone [3-(chloromethyl)-5-isothiazolyl]-(4-methoxyphenyl)methanone [3-(chloromethyl)-1,2-thiazol-5-yl]-(4-methoxyphenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClNO2S
InChI InChI=1S/C12H10ClNO2S/c1-16-10-4-2-8(3-5-10)12(15)11-6-9(7-13)14-17-11/h2-6H,7H2,1H3
InChIKey DYUNHDMKIAWKKQ-UHFFFAOYSA-N
Molecular Weight 267.730 g/mol
SMILES c1(snc(c1)CCl)C(c1ccc(cc1)OC)=O
SPLASH splash10-000i-1920000000-210dc66a57039c1533c3
Source of Spectrum KC-0-2251-18
Wiley ID 823069