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Hydrosulfide, [4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID HBUStZSLKkT
InChI InChI=1S/C13H13N5O2S/c1-19-8-3-4-11(20-2)10(7-8)18-12(16-17-13(18)21)9-5-6-14-15-9/h3-7H,1-2H3,(H,14,15)(H,17,21)
InChIKey QDKYXTWQMVNYSQ-UHFFFAOYSA-N
Mol Weight 303.34 g/mol
Molecular Formula C13H13N5O2S
Exact Mass 303.078996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7rRsm9Q3NK
Name Hydrosulfide, [4-(2,5-dimethoxyphenyl)-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N5O2S
InChI InChI=1S/C13H13N5O2S/c1-19-8-3-4-11(20-2)10(7-8)18-12(16-17-13(18)21)9-5-6-14-15-9/h3-7H,1-2H3,(H,14,15)(H,17,21)
InChIKey QDKYXTWQMVNYSQ-UHFFFAOYSA-N
Molecular Weight 303.340 g/mol
SMILES Sc1nnc(-c2[nH]ncc2)[n]1-c1c(OC)ccc(c1)OC
SPLASH splash10-0006-9310000000-cadf4db9dbcc7b2b6e9c
Source of Spectrum IY-1-4546-8
Wiley ID 1653451