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3-(4-tert-butylphenyl)-3-(2-phenylsulfanylethanoylamino)propanoic acid
SpectraBase Compound ID 7IUenfAk9qO
InChI InChI=1S/C21H25NO3S/c1-21(2,3)16-11-9-15(10-12-16)18(13-20(24)25)22-19(23)14-26-17-7-5-4-6-8-17/h4-12,18H,13-14H2,1-3H3,(H,22,23)(H,24,25)
InChIKey GEVCRFXHANAAPU-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C21H25NO3S
Exact Mass 371.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0nkDUC0IEK
Name 3-(4-tert-butylphenyl)-3-(2-phenylsulfanylethanoylamino)propanoic acid
Alternate Name(s) 3-(4-tert-butylphenyl)-3-[(2-phenylsulfanylacetyl)amino]propanoic acid 3-(4-tert-butylphenyl)-3-[[1-oxo-2-(phenylthio)ethyl]amino]propanoic acid 3-(4-tert-butylphenyl)-3-[[2-(phenylthio)acetyl]amino]propionic acid
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Formula C21H25NO3S
InChI InChI=1S/C21H25NO3S/c1-21(2,3)16-11-9-15(10-12-16)18(13-20(24)25)22-19(23)14-26-17-7-5-4-6-8-17/h4-12,18H,13-14H2,1-3H3,(H,22,23)(H,24,25)
InChIKey GEVCRFXHANAAPU-UHFFFAOYSA-N
Molecular Weight 371.495 g/mol
SMILES OC(CC(c1ccc(cc1)C(C)(C)C)NC(=O)CSc1ccccc1)=O
SPLASH splash10-03di-8930000000-c999ce51360cbe52d1aa
Wiley ID 1445778