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

*Links on SpectraBase are not permalinks.

3-{[3-(2,4-dimethylanilino)-3-oxopropyl]sulfanyl}-N-(2,4-dimethylphenyl)propanamide

View entire compound with spectra: 2 NMR

3-{[3-(2,4-dimethylanilino)-3-oxopropyl]sulfanyl}-N-(2,4-dimethylphenyl)propanamide
SpectraBase Compound ID KkNJfrHf9fI
InChI InChI=1S/C22H28N2O2S/c1-15-5-7-19(17(3)13-15)23-21(25)9-11-27-12-10-22(26)24-20-8-6-16(2)14-18(20)4/h5-8,13-14H,9-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKey UAICBZGFGWGWFM-UHFFFAOYSA-N
Mol Weight 384.54 g/mol
Molecular Formula C22H28N2O2S
Exact Mass 384.187149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HLRScxQqcZ7
Name 3-{[3-(2,4-Dimethylanilino)-3-oxopropyl]sulfanyl}-N-(2,4-dimethylphenyl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.187149322 u
Formula C22H28N2O2S
InChI InChI=1S/C22H28N2O2S/c1-15-5-7-19(17(3)13-15)23-21(25)9-11-27-12-10-22(26)24-20-8-6-16(2)14-18(20)4/h5-8,13-14H,9-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKey UAICBZGFGWGWFM-UHFFFAOYSA-N
Molecular Weight 384.538 g/mol
SMILES N(C(CCSCCC(NC1=C(C=C(C=C1)C)C)=O)=O)C1=C(C=C(C=C1)C)C