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1-(2,5-Dimethoxyphenyl)-3-propyl-2-thiourea

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

1-(2,5-Dimethoxyphenyl)-3-propyl-2-thiourea
SpectraBase Compound ID LFnkE8WdMKU
InChI InChI=1S/C12H18N2O2S/c1-4-7-13-12(17)14-10-8-9(15-2)5-6-11(10)16-3/h5-6,8H,4,7H2,1-3H3,(H2,13,14,17)
InChIKey CIHQGCMTNXGTCT-UHFFFAOYSA-N
Mol Weight 254.35 g/mol
Molecular Formula C12H18N2O2S
Exact Mass 254.108899 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KO6a0JnfAln
Name 1-(2,5-Dimethoxyphenyl)-3-propyl-2-thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.108899000 u
Formula C12H18N2O2S
InChI InChI=1S/C12H18N2O2S/c1-4-7-13-12(17)14-10-8-9(15-2)5-6-11(10)16-3/h5-6,8H,4,7H2,1-3H3,(H2,13,14,17)
InChIKey CIHQGCMTNXGTCT-UHFFFAOYSA-N
Molecular Weight 254.348 g/mol
SMILES N(C1=CC(=CC=C1OC)OC)C(NCCC)=S
Spectrum/Structure Validation Score (Raman) 0.894786