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3-(chloromethyl)-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one
SpectraBase Compound ID 5uTrSuHwDqL
InChI InChI=1S/C10H6ClN3OS/c11-5-8-12-13-10-14(8)9(15)6-3-1-2-4-7(6)16-10/h1-4H,5H2
InChIKey VEMHLROXPODSDB-UHFFFAOYSA-N
Mol Weight 251.69 g/mol
Molecular Formula C10H6ClN3OS
Exact Mass 250.992011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71HVfr5gAXL
Name 3-(chloromethyl)-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one
Alternate Name(s) 3-(chloromethyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazin-5-one
CAS Registry Number 128287-39-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6ClN3OS
InChI InChI=1S/C10H6ClN3OS/c11-5-8-12-13-10-14(8)9(15)6-3-1-2-4-7(6)16-10/h1-4H,5H2
InChIKey VEMHLROXPODSDB-UHFFFAOYSA-N
Molecular Weight 251.691 g/mol
SMILES c12[n](c(nn2)CCl)C(c2c(S1)cccc2)=O
SPLASH splash10-0uxr-0190000000-a9b7f8cb09fa59550e79
Source of Spectrum Y-27-394-2
Wiley ID 1254261