For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Ethyl 3-[benzoylamino]propane-1-(dithio)-oate

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

Ethyl 3-[benzoylamino]propane-1-(dithio)-oate
SpectraBase Compound ID azbrvDv50z
InChI InChI=1S/C12H15NOS2/c1-2-16-11(15)8-9-13-12(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKey ATVAVYFEKLDPNY-UHFFFAOYSA-N
Mol Weight 253.38 g/mol
Molecular Formula C12H15NOS2
Exact Mass 253.059506 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6TNQ3iweQWs
Name Ethyl 3-[benzoylamino]propane-1-(dithio)-oate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.059506454 u
Formula C12H15NOS2
InChI InChI=1S/C12H15NOS2/c1-2-16-11(15)8-9-13-12(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKey ATVAVYFEKLDPNY-UHFFFAOYSA-N
Molecular Weight 253.378 g/mol
SMILES C(=O)(C1=CC=CC=C1)NCCC(=S)SCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951255