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3-(4-nitrophenyl)-4-propyl-1,2,4-thiadiazole-5(4H)-thione
SpectraBase Compound ID GBqhTOPltjN
InChI InChI=1S/C11H11N3O2S2/c1-2-7-13-10(12-18-11(13)17)8-3-5-9(6-4-8)14(15)16/h3-6H,2,7H2,1H3
InChIKey DTYOBUUSWFFFCY-UHFFFAOYSA-N
Mol Weight 281.35 g/mol
Molecular Formula C11H11N3O2S2
Exact Mass 281.029269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxpedcHKePn
Name 3-(4-nitrophenyl)-4-propyl-1,2,4-thiadiazole-5(4H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2S2
InChI InChI=1S/C11H11N3O2S2/c1-2-7-13-10(12-18-11(13)17)8-3-5-9(6-4-8)14(15)16/h3-6H,2,7H2,1H3
InChIKey DTYOBUUSWFFFCY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1397
Molecular Weight 281.348 g/mol
SMILES C1(=NSC(N1CCC)=S)c1ccc(cc1)[N+]([O-])=O
SPLASH splash10-001i-7970000000-16794d7a955b8c68be7c
Source of Spectrum RCM-18-763-17
Wiley ID 1836375