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

*Links on SpectraBase are not permalinks.

3-(4-Ethoxyphenyl)-3-(thiophen-2-ylcarbonylamino)propanoic acid

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

3-(4-Ethoxyphenyl)-3-(thiophen-2-ylcarbonylamino)propanoic acid
SpectraBase Compound ID 46h6cRlVfDT
InChI InChI=1S/C16H17NO4S/c1-2-21-12-7-5-11(6-8-12)13(10-15(18)19)17-16(20)14-4-3-9-22-14/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKey WWLQRKAJQCHHFO-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 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 FfpD4Gc57Lz
Name 3-(4-Ethoxyphenyl)-3-(thiophen-2-ylcarbonylamino)propanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.087829201 u
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-2-21-12-7-5-11(6-8-12)13(10-15(18)19)17-16(20)14-4-3-9-22-14/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKey WWLQRKAJQCHHFO-UHFFFAOYSA-N
Molecular Weight 319.375 g/mol
SMILES C=1C=C(C=CC1C(CC(O)=O)NC(=O)C1=CC=CS1)OCC