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3-Benzyl-1,2,4-triazolo[3,4-b]1,3(4H)-benzothiazine
SpectraBase Compound ID AvILWWxpgX1
InChI InChI=1S/C16H13N3S/c1-2-6-12(7-3-1)10-15-17-18-16-19(15)11-13-8-4-5-9-14(13)20-16/h1-9H,10-11H2
InChIKey CZFOLRLUWWKGMH-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C16H13N3S
Exact Mass 279.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FglEXceOJs8
Name 3-Benzyl-1,2,4-triazolo[3,4-b]1,3(4H)-benzothiazine
Alternate Name(s) 3-(Phenylmethyl)-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3S
InChI InChI=1S/C16H13N3S/c1-2-6-12(7-3-1)10-15-17-18-16-19(15)11-13-8-4-5-9-14(13)20-16/h1-9H,10-11H2
InChIKey CZFOLRLUWWKGMH-UHFFFAOYSA-N
Molecular Weight 279.361 g/mol
SMILES c12[n](c(nn2)Cc2ccccc2)Cc2c(S1)cccc2
SPLASH splash10-004r-4970000000-f44f47aa586bf0c1dca3
Source of Spectrum KC-60-858-2
Wiley ID 1583164