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

*Links on SpectraBase are not permalinks.

Cystenyl-4-amino-3'-(carboxy)biphenyl

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

Cystenyl-4-amino-3'-(carboxy)biphenyl
SpectraBase Compound ID K4pni0p5MRL
InChI InChI=1S/C16H16N2O3S/c1-22-14(17)15(19)18-13-7-5-10(6-8-13)11-3-2-4-12(9-11)16(20)21/h2-9,14H,17H2,1H3,(H,18,19)(H,20,21)
InChIKey CJEKOEVQDXOATC-UHFFFAOYSA-N
Mol Weight 316.37 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 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 3sw1kvAcw63
Name Cystenyl-4-amino-3'-(carboxy)biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.088163554 u
Formula C16H16N2O3S
InChI InChI=1S/C16H16N2O3S/c1-22-14(17)15(19)18-13-7-5-10(6-8-13)11-3-2-4-12(9-11)16(20)21/h2-9,14H,17H2,1H3,(H,18,19)(H,20,21)
InChIKey CJEKOEVQDXOATC-UHFFFAOYSA-N
Molecular Weight 316.375 g/mol
SMILES C(NC1=CC=C(C2=CC(C(=O)O)=CC=C2)C=C1)(C(SC)N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953457