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3-(4-isopropoxyphenyl)-3-(9H-xanthene-9-carbonylamino)propanoic acid
SpectraBase Compound ID Fxlm238grfQ
InChI InChI=1S/C26H25NO5/c1-16(2)31-18-13-11-17(12-14-18)21(15-24(28)29)27-26(30)25-19-7-3-5-9-22(19)32-23-10-6-4-8-20(23)25/h3-14,16,21,25H,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKey XYJOHJIPAWQZAO-UHFFFAOYSA-N
Mol Weight 431.49 g/mol
Molecular Formula C26H25NO5
Exact Mass 431.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ut7B98PHa7
Name 3-(4-isopropoxyphenyl)-3-(9H-xanthene-9-carbonylamino)propanoic acid
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Formula C26H25NO5
InChI InChI=1S/C26H25NO5/c1-16(2)31-18-13-11-17(12-14-18)21(15-24(28)29)27-26(30)25-19-7-3-5-9-22(19)32-23-10-6-4-8-20(23)25/h3-14,16,21,25H,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKey XYJOHJIPAWQZAO-UHFFFAOYSA-N
Molecular Weight 431.488 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NC(=O)C1c2c(Oc3c1cccc3)cccc2)=O
SPLASH splash10-001i-3900000000-a6f984353c7cd02572b3
Synonyms 3-(4-propan-2-yloxyphenyl)-3-(9H-xanthen-9-ylcarbonylamino)propanoic acid 3-(4-propan-2-yloxyphenyl)-3-(9H-xanthene-9-carbonylamino)propanoic acid 3-[[oxo(9H-xanthen-9-yl)methyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
Wiley ID 1444221