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

*Links on SpectraBase are not permalinks.

Propionic acid, 2-[2-(3,4-dimethoxyphenyl)acetylamino]-3-mercapto-

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

Propionic acid, 2-[2-(3,4-dimethoxyphenyl)acetylamino]-3-mercapto-
SpectraBase Compound ID ESCyVAISiWU
InChI InChI=1S/C13H17NO5S/c1-18-10-4-3-8(5-11(10)19-2)6-12(15)14-9(7-20)13(16)17/h3-5,9,20H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKey IUDFTJZXJAKHDO-UHFFFAOYSA-N
Mol Weight 299.34 g/mol
Molecular Formula C13H17NO5S
Exact Mass 299.082744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 2rcaRcA4hYr
Name Propionic acid, 2-[2-(3,4-dimethoxyphenyl)acetylamino]-3-mercapto-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.082743820 u
Formula C13H17NO5S
InChI InChI=1S/C13H17NO5S/c1-18-10-4-3-8(5-11(10)19-2)6-12(15)14-9(7-20)13(16)17/h3-5,9,20H,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKey IUDFTJZXJAKHDO-UHFFFAOYSA-N
Molecular Weight 299.341 g/mol
SMILES C1(=CC(CC(=O)NC(CS)C(O)=O)=CC=C1OC)OC