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3-(2-Chlorophenyl)-3-[[oxo(9H-xanthen-9-yl)methyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID 9lV3KJiELHX
InChI InChI=1S/C25H22ClNO4/c1-2-30-23(28)15-20(16-9-3-6-12-19(16)26)27-25(29)24-17-10-4-7-13-21(17)31-22-14-8-5-11-18(22)24/h3-14,20,24H,2,15H2,1H3,(H,27,29)
InChIKey RTIXXYXLOMWVMS-UHFFFAOYSA-N
Mol Weight 435.91 g/mol
Molecular Formula C25H22ClNO4
Exact Mass 435.123736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RzH6BwSjDg
Name 3-(2-Chlorophenyl)-3-[[oxo(9H-xanthen-9-yl)methyl]amino]propanoic acid ethyl ester
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Formula C25H22ClNO4
InChI InChI=1S/C25H22ClNO4/c1-2-30-23(28)15-20(16-9-3-6-12-19(16)26)27-25(29)24-17-10-4-7-13-21(17)31-22-14-8-5-11-18(22)24/h3-14,20,24H,2,15H2,1H3,(H,27,29)
InChIKey RTIXXYXLOMWVMS-UHFFFAOYSA-N
Molecular Weight 435.907 g/mol
SMILES N(C(c1c(cccc1)Cl)CC(OCC)=O)C(=O)C1c2c(Oc3c1cccc3)cccc2
SPLASH splash10-001i-2900000000-5ac21c93dc84b9a5df9d
Synonyms Ethyl 3-(2-chlorophenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoate Ethyl 3-(2-chlorophenyl)-3-(9H-xanthene-9-carbonylamino)propanoate
Wiley ID 1445558