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2-(chloromethyl)-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one
SpectraBase Compound ID 4Rf241fY3J9
InChI InChI=1S/C10H6ClN3OS/c11-5-8-12-10-14(13-8)9(15)6-3-1-2-4-7(6)16-10/h1-4H,5H2
InChIKey NWIRWAOQYMSGPG-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 H186MzgOmJF
Name 2-(chloromethyl)-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one
Alternate Name(s) 2-(chloromethyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one
CAS Registry Number 122604-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6ClN3OS
InChI InChI=1S/C10H6ClN3OS/c11-5-8-12-10-14(13-8)9(15)6-3-1-2-4-7(6)16-10/h1-4H,5H2
InChIKey NWIRWAOQYMSGPG-UHFFFAOYSA-N
Molecular Weight 251.691 g/mol
SMILES c12[n](nc(n2)CCl)C(c2c(S1)cccc2)=O
SPLASH splash10-0udr-0490000000-8e543c2928f4735802cd
Source of Spectrum Y-26-459-3
Wiley ID 1254260