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3-Benzyl-6-methoxy-5-methyl-[1,4]benzoxathiino[2,3-d]triazole
SpectraBase Compound ID HcfV4W0qs9e
InChI InChI=1S/C17H15N3O2S/c1-11-13(21-2)8-9-14-15(11)22-17-16(23-14)18-19-20(17)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKey MKPOBXPROSAVQR-UHFFFAOYSA-N
Mol Weight 325.39 g/mol
Molecular Formula C17H15N3O2S
Exact Mass 325.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxGAwtDoFqY
Name 3-Benzyl-6-methoxy-5-methyl-[1,4]benzoxathiino[2,3-d]triazole
CAS Registry Number 96938-89-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N3O2S
InChI InChI=1S/C17H15N3O2S/c1-11-13(21-2)8-9-14-15(11)22-17-16(23-14)18-19-20(17)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKey MKPOBXPROSAVQR-UHFFFAOYSA-N
Molecular Weight 325.386 g/mol
SMILES c12c(nn[n]2Cc2ccccc2)Sc2c(O1)c(c(cc2)OC)C
SPLASH splash10-0a4i-1093000000-3c27c5afcf6250109485
Source of Spectrum Y-22-79-17
Synonyms 6-Methoxy-5-methyl-3-(phenylmethyl)-[1,4]benzoxathiino[2,3-d]triazole 6-Methoxy-5-methyl-3-(phenylmethyl)-[1,4]benzoxathiino[2,3-d][1,2,3]triazole
Wiley ID 1323917