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6-Hydroxy-3-oxo-3H-xanthene-9-propanoic Acid
SpectraBase Compound ID LZ2Yl9bI4Eo
InChI InChI=1S/C16H12O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8,17H,5-6H2,(H,19,20)
InChIKey RFRSCTPKEGYARM-UHFFFAOYSA-N
Mol Weight 284.27 g/mol
Molecular Formula C16H12O5
Exact Mass 284.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gkk6sNIiGfM
Name 6-Hydroxy-3-oxo-3H-xanthene-9-propanoic Acid
Appearance Dark brown solid
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Exact Mass 284.068473481 u
Formula C16H12O5
GC Column DB-XLB (30 m)
InChI InChI=1S/C16H12O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8,17H,5-6H2,(H,19,20)
InChIKey RFRSCTPKEGYARM-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1021/jo301455n
Quality 171
Reported Formula C16H12O5
SMILES OC(CCC=1C2=C(C=C(C=C2)O)OC=2C1C=CC(C2)=O)=O
SPLASH splash10-000i-0190000000-6ac9dd0aa0857b57118b
Sample Comments Succinylfluorescein
Source of Spectrum JOC-78-1840-9 (DOI: 10.1021/jo301455n)
Wiley ID 1912255