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N-(3-methoxybenzoyl)-N'-(2-propyl-2H-tetraazol-5-yl)thiourea

View entire compound with spectra: 2 NMR

N-(3-methoxybenzoyl)-N'-(2-propyl-2H-tetraazol-5-yl)thiourea
SpectraBase Compound ID Dge3Ww9VE22
InChI InChI=1S/C13H16N6O2S/c1-3-7-19-17-12(16-18-19)15-13(22)14-11(20)9-5-4-6-10(8-9)21-2/h4-6,8H,3,7H2,1-2H3,(H2,14,15,17,20,22)
InChIKey WDNZDTLYPJYNRH-UHFFFAOYSA-N
Mol Weight 320.37 g/mol
Molecular Formula C13H16N6O2S
Exact Mass 320.105545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDDfYHCGW4g
Name N-(3-Methoxybenzoyl)-N'-(2-propyl-2H-tetraazol-5-yl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.105544951 u
Formula C13H16N6O2S
InChI InChI=1S/C13H16N6O2S/c1-3-7-19-17-12(16-18-19)15-13(22)14-11(20)9-5-4-6-10(8-9)21-2/h4-6,8H,3,7H2,1-2H3,(H2,14,15,17,20,22)
InChIKey WDNZDTLYPJYNRH-UHFFFAOYSA-N
Molecular Weight 320.371 g/mol
SMILES N(C(NC(C=1C=C(OC)C=CC1)=O)=S)C1=NN(CCC)N=N1