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N-(1-Oxoundec-10-ynyl)-5-aminofluorescein
SpectraBase Compound ID 10Eb7WEeRhs
InChI InChI=1S/C31H29NO6/c1-2-3-4-5-6-7-8-9-10-29(35)32-20-11-14-23(26(17-20)31(36)37)30-24-15-12-21(33)18-27(24)38-28-19-22(34)13-16-25(28)30/h1,11-19,33H,3-10H2,(H,32,35)(H,36,37)
InChIKey QJGPQEZPQCVQCY-UHFFFAOYSA-N
Mol Weight 511.57 g/mol
Molecular Formula C31H29NO6
Exact Mass 511.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaikDnZTGNp
Name N-(1-Oxoundec-10-ynyl)-5-aminofluorescein
Alternate Name(s) 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-undec-10-ynoylamino-benzoic acid N-{3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-yl}undec-10-ynamide 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-(1-oxoundec-10-ynylamino)benzoic acid 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-(undec-10-ynoylamino)benzoic acid 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-(undec-10-ynoylamino)benzoic acid 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(undec-10-ynoylamino)benzoic acid
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Formula C31H29NO6
InChI InChI=1S/C31H29NO6/c1-2-3-4-5-6-7-8-9-10-29(35)32-20-11-14-23(26(17-20)31(36)37)30-24-15-12-21(33)18-27(24)38-28-19-22(34)13-16-25(28)30/h1,11-19,33H,3-10H2,(H,32,35)(H,36,37)
InChIKey QJGPQEZPQCVQCY-UHFFFAOYSA-N
Molecular Weight 511.574 g/mol
SMILES Oc1ccc2c(OC=3C(=C2c2ccc(NC(=O)CCCCCCCCC#C)cc2C(=O)O)C=CC(C3)=O)c1
SPLASH splash10-03di-0011090000-f663e7bf7fae2026ee30
Source of Spectrum F-53-1516-12
Wiley ID 800254