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(2R)-3-(2-aminophenyl)sulfanyl-2-(1,3-dioxoisoindol-2-yl)propanoic acid
SpectraBase Compound ID JAuj6ATa6Jf
InChI InChI=1S/C17H14N2O4S/c18-12-7-3-4-8-14(12)24-9-13(17(22)23)19-15(20)10-5-1-2-6-11(10)16(19)21/h1-8,13H,9,18H2,(H,22,23)/t13-/m0/s1
InChIKey RKULNJIYYVYDMF-ZDUSSCGKSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H14N2O4S
Exact Mass 342.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnUvqs8wWg6
Name (2R)-3-(2-aminophenyl)sulfanyl-2-(1,3-dioxoisoindol-2-yl)propanoic acid
Alternate Name(s) (2R)-3-(2-aminophenyl)sulfanyl-2-(1,3-dioxoisoindolin-2-yl)propanoic acid (2R)-3-(2-aminophenyl)sulfanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid (2R)-3-[(2-aminophenyl)thio]-2-(1,3-dioxo-2-isoindolyl)propanoic acid (2R)-3-[(2-aminophenyl)thio]-2-phthalimido-propionic acid
CAS Registry Number 100236-26-8
Comments Less than 3 mono-isotopic peaks
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Formula C17H14N2O4S
InChI InChI=1S/C17H14N2O4S/c18-12-7-3-4-8-14(12)24-9-13(17(22)23)19-15(20)10-5-1-2-6-11(10)16(19)21/h1-8,13H,9,18H2,(H,22,23)/t13-/m0/s1
InChIKey RKULNJIYYVYDMF-ZDUSSCGKSA-N
Molecular Weight 342.369 g/mol
SMILES OC([C@](CSc1c(cccc1)N)(N1C(c2ccccc2C1=O)=O)[H])=O
SPLASH splash10-004i-0903000000-394531c5d7711628f8ff
Source of Spectrum U-1992-404-3
Wiley ID 764184