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3-(4-Methylphenyl)-3-[[oxo(9H-xanthen-9-yl)methyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID 79r722Q1Cwe
InChI InChI=1S/C26H25NO4/c1-3-30-24(28)16-21(18-14-12-17(2)13-15-18)27-26(29)25-19-8-4-6-10-22(19)31-23-11-7-5-9-20(23)25/h4-15,21,25H,3,16H2,1-2H3,(H,27,29)
InChIKey RJAOEUXEOXNEKT-UHFFFAOYSA-N
Mol Weight 415.49 g/mol
Molecular Formula C26H25NO4
Exact Mass 415.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiU3tET93iZ
Name 3-(4-Methylphenyl)-3-[[oxo(9H-xanthen-9-yl)methyl]amino]propanoic acid ethyl ester
Alternate Name(s) Ethyl 3-(4-methylphenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoate Ethyl 3-(4-methylphenyl)-3-(9H-xanthene-9-carbonylamino)propanoate Ethyl 3-(p-tolyl)-3-(9H-xanthene-9-carbonylamino)propanoate
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Formula C26H25NO4
InChI InChI=1S/C26H25NO4/c1-3-30-24(28)16-21(18-14-12-17(2)13-15-18)27-26(29)25-19-8-4-6-10-22(19)31-23-11-7-5-9-20(23)25/h4-15,21,25H,3,16H2,1-2H3,(H,27,29)
InChIKey RJAOEUXEOXNEKT-UHFFFAOYSA-N
Molecular Weight 415.489 g/mol
SMILES N(C(c1ccc(cc1)C)CC(OCC)=O)C(=O)C1c2c(Oc3c1cccc3)cccc2
SPLASH splash10-001i-1900000000-ef1914f8662c1fbab2e5
Wiley ID 1445535