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3-Benzoylamino-6-(bromomethyl)-5,6-dihydro-1,6-dimethylthiazolo[2,3-c]-1,2,4-triazolium bromide
SpectraBase Compound ID 7qaz9Dwcr7L
InChI InChI=1S/C14H15BrN4OS.BrH/c1-14(8-15)9-19-12(17-18(2)13(19)21-14)16-11(20)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKey DSCKJODBTOTRFH-UHFFFAOYSA-N
Mol Weight 448.18 g/mol
Molecular Formula C14H16Br2N4OS
Exact Mass 445.941158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gfC4pL2UxW
Name 3-Benzoylamino-6-(bromomethyl)-5,6-dihydro-1,6-dimethylthiazolo[2,3-c]-1,2,4-triazolium bromide
Alternate Name(s) N-[6-(bromomethyl)-1,6-dimethyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazol-4-ium-3-yl]benzamide;bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16Br2N4OS
InChI InChI=1S/C14H15BrN4OS.BrH/c1-14(8-15)9-19-12(17-18(2)13(19)21-14)16-11(20)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKey DSCKJODBTOTRFH-UHFFFAOYSA-N
Molecular Weight 448.177 g/mol
SMILES [Br-].N(c1[n]2c([n+](C)n1)SC(C2)(CBr)C)C(=O)c1ccccc1
SPLASH splash10-0a70-5960000000-9f49e0a9c36ca57a0381
Source of Spectrum F-52-795-3b
Wiley ID 794756