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N-N-Octadecyl-N'-2-[N-aziridyl]ethylthiourea

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

N-N-Octadecyl-N'-2-[N-aziridyl]ethylthiourea
SpectraBase Compound ID 9ztvQPI7FUf
InChI InChI=1S/C23H47N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-23(27)25-19-20-26-21-22-26/h2-22H2,1H3,(H2,24,25,27)
InChIKey HLQZRSRPTJLQQE-UHFFFAOYSA-N
Mol Weight 397.7 g/mol
Molecular Formula C23H47N3S
Exact Mass 397.34907 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F1HRArSatB8
Name N-N-Octadecyl-N'-2-[N-aziridyl]ethylthiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.349069699 u
Formula C23H47N3S
InChI InChI=1S/C23H47N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-23(27)25-19-20-26-21-22-26/h2-22H2,1H3,(H2,24,25,27)
InChIKey HLQZRSRPTJLQQE-UHFFFAOYSA-N
Molecular Weight 397.710 g/mol
SMILES CCCCCCCCCCCCCCCCCCNC(NCCN1CC1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80696