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

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUVEt4b3aAv
Name Cystenyl-4-amino-3'-(carboxy)biphenyl
Comments Less than 3 mono-isotopic peaks
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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 N(C(C(SC)N)=O)c1ccc(-c2cc(C(=O)O)ccc2)cc1
SPLASH splash10-03di-0092000000-102973fba80047bc9835
Source of Spectrum E1-39-223-6
Wiley ID 1598702