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3-(o-Tolyl)-1,2,4-triazolo[3,4-b]1,3(4H)-benzothiazine
SpectraBase Compound ID 7Lqb6D7EroW
InChI InChI=1S/C16H13N3S/c1-11-6-2-4-8-13(11)15-17-18-16-19(15)10-12-7-3-5-9-14(12)20-16/h2-9H,10H2,1H3
InChIKey SKHLYUIWMDPNPE-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 36OC5p2o9Oe
Name 3-(o-Tolyl)-1,2,4-triazolo[3,4-b]1,3(4H)-benzothiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3S
InChI InChI=1S/C16H13N3S/c1-11-6-2-4-8-13(11)15-17-18-16-19(15)10-12-7-3-5-9-14(12)20-16/h2-9H,10H2,1H3
InChIKey SKHLYUIWMDPNPE-UHFFFAOYSA-N
Molecular Weight 279.361 g/mol
SMILES c12[n](c(nn2)-c2c(C)cccc2)Cc2c(S1)cccc2
SPLASH splash10-004i-3890000000-231a7982e07d1912937f
Source of Spectrum KC-60-858-2
Synonyms 3-(2-Methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3]benzothiazine
Wiley ID 1583165