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3-Butyl-6-(4-nitro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 9I5tqFwe2JF
InChI InChI=1S/C14H15N5O2S/c1-2-3-4-13-15-16-14-18(13)17-12(9-22-14)10-5-7-11(8-6-10)19(20)21/h5-8H,2-4,9H2,1H3
InChIKey NPRGUJLAFIVMJD-UHFFFAOYSA-N
Mol Weight 317.37 g/mol
Molecular Formula C14H15N5O2S
Exact Mass 317.094646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XD56SobvJO
Name 3-Butyl-6-(4-nitro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N5O2S
InChI InChI=1S/C14H15N5O2S/c1-2-3-4-13-15-16-14-18(13)17-12(9-22-14)10-5-7-11(8-6-10)19(20)21/h5-8H,2-4,9H2,1H3
InChIKey NPRGUJLAFIVMJD-UHFFFAOYSA-N
Molecular Weight 317.367 g/mol
SMILES CCCCc1[n]2N=C(c3ccc(N(=O)=O)cc3)CSc2nn1
SPLASH splash10-004i-9420000000-2f0891b3f8b89cd3ac5c
Wiley ID 1451796