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1-Isopropyl-3-(3-nitro-p-tolyl)-2-thiourea

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1-Isopropyl-3-(3-nitro-p-tolyl)-2-thiourea
SpectraBase Compound ID HOlnXnioJO4
InChI InChI=1S/C11H15N3O2S/c1-7(2)12-11(17)13-9-5-4-8(3)10(6-9)14(15)16/h4-7H,1-3H3,(H2,12,13,17)
InChIKey YJEJZZVROHEXFI-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C11H15N3O2S
Exact Mass 253.088498 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1LDeDXpNCMV
Name 1-Isopropyl-3-(3-nitro-p-tolyl)-2-thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.088497907 u
Formula C11H15N3O2S
InChI InChI=1S/C11H15N3O2S/c1-7(2)12-11(17)13-9-5-4-8(3)10(6-9)14(15)16/h4-7H,1-3H3,(H2,12,13,17)
InChIKey YJEJZZVROHEXFI-UHFFFAOYSA-N
Molecular Weight 253.320 g/mol
SMILES N(=O)(=O)C1=CC(=CC=C1C)NC(NC(C)C)=S
Spectrum/Structure Validation Score (Raman) 0.782395