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Pinselin

View entire compound with spectra: 1 MS (GC)

Pinselin
SpectraBase Compound ID AYSjcbDNbUz
InChI InChI=1S/C16H12O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,17-18H,1-2H3
InChIKey TWQNCGDOHUNFFU-UHFFFAOYSA-N
Mol Weight 300.27 g/mol
Molecular Formula C16H12O6
Exact Mass 300.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tID68zVIG
Name Pinselin
Alternate Name(s) Methyl 2,8-dihydroxy-6-methyl-9-oxo-9H-xanthene-1-carboxylate 9H-Xanthene-1-carboxylic acid, 2,8-dihydroxy-6-methyl-9-oxo-, methyl ester Methyl 2,8-dihydroxy-6-methyl-9-oxo-xanthene-1-carboxylate Methyl 2,8-dihydroxy-6-methyl-9-oxoxanthene-1-carboxylate
CAS Registry Number 476-53-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O6
InChI InChI=1S/C16H12O6/c1-7-5-9(18)12-11(6-7)22-10-4-3-8(17)13(16(20)21-2)14(10)15(12)19/h3-6,17-18H,1-2H3
InChIKey TWQNCGDOHUNFFU-UHFFFAOYSA-N
Molecular Weight 300.266 g/mol
SMILES Oc1c2c(Oc3c(c(c(cc3)O)C(OC)=O)C2=O)cc(c1)C
SPLASH splash10-0i29-9310000000-5a82cfabadd14b095ba5
Source of Spectrum W5-26999-0-0
Wiley ID 1302691