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4-Amino-5-benzyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 7XlUErf5jh1
InChI InChI=1S/C9H10N4S/c10-13-8(11-12-9(13)14)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,12,14)
InChIKey BQNXPJGHKISKRZ-UHFFFAOYSA-N
Mol Weight 206.27 g/mol
Molecular Formula C9H10N4S
Exact Mass 206.062618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Hd5bkYIN5n
Name 4-Amino-5-benzyl-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N4S
InChI InChI=1S/C9H10N4S/c10-13-8(11-12-9(13)14)6-7-4-2-1-3-5-7/h1-5H,6,10H2,(H,12,14)
InChIKey BQNXPJGHKISKRZ-UHFFFAOYSA-N
Instrument Name Varian MAT 311A or HP6890 series
Ionization Type EI
Literature Reference DOI 10.1021/jm801399r
Molecular Weight 206.267 g/mol
SMILES N[n]1c(nnc1Cc1ccccc1)S
SPLASH splash10-0a4l-3290000000-94b1fe86b11ffdf6edaa
Source of Spectrum AF-52-4207-9
Wiley ID 1873611