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1-Benzyl-3-ethyl-1-(isopropylideneamino)thiourea

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Benzyl-3-ethyl-1-(isopropylideneamino)thiourea
SpectraBase Compound ID JFKrfQkW2ac
InChI InChI=1S/C13H19N3S/c1-4-14-13(17)16(15-11(2)3)10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,14,17)
InChIKey HKDVCRXVZZYIDW-UHFFFAOYSA-N
Mol Weight 249.38 g/mol
Molecular Formula C13H19N3S
Exact Mass 249.129969 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5V24LouvK3x
Name 1-Benzyl-3-ethyl-1-(isopropylideneamino)thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.129968798 u
Formula C13H19N3S
InChI InChI=1S/C13H19N3S/c1-4-14-13(17)16(15-11(2)3)10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,14,17)
InChIKey HKDVCRXVZZYIDW-UHFFFAOYSA-N
Molecular Weight 249.376 g/mol
SMILES C(N(N=C(C)C)CC=1C=CC=CC1)(=S)NCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970935