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Benzyl 5-amino-4-(2-hydroxy-3,5-dimethylbenzoyl)-1H-pyrazole-1-carbodithioate
SpectraBase Compound ID 27CMKKEeoPg
InChI InChI=1S/C20H19N3O2S2/c1-12-8-13(2)17(24)15(9-12)18(25)16-10-22-23(19(16)21)20(26)27-11-14-6-4-3-5-7-14/h3-10,24H,11,21H2,1-2H3
InChIKey AOLFRDYYOMXZGF-UHFFFAOYSA-N
Mol Weight 397.51 g/mol
Molecular Formula C20H19N3O2S2
Exact Mass 397.091869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nwGOqZAc8K
Name Benzyl 5-amino-4-(2-hydroxy-3,5-dimethylbenzoyl)-1H-pyrazole-1-carbodithioate
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N3O2S2
InChI InChI=1S/C20H19N3O2S2/c1-12-8-13(2)17(24)15(9-12)18(25)16-10-22-23(19(16)21)20(26)27-11-14-6-4-3-5-7-14/h3-10,24H,11,21H2,1-2H3
InChIKey AOLFRDYYOMXZGF-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3291
Molecular Weight 397.511 g/mol
SMILES Nc1[n](ncc1C(c1c(c(cc(c1)C)C)O)=O)C(SCc1ccccc1)=S
SPLASH splash10-0007-9214000000-6a74194dc7799d35aca5
Source of Spectrum Y-55-2322-13
Wiley ID 1878848