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9H-Xanthene-2-carboxylic acid, 7-chloro-1,3-dihydroxy-8-methyl-9-oxo-6-(phenylmethoxy)-, phenylmethyl ester
SpectraBase Compound ID FnZCywOvlbO
InChI InChI=1S/C29H21ClO7/c1-16-23-21(13-22(26(16)30)35-14-17-8-4-2-5-9-17)37-20-12-19(31)24(28(33)25(20)27(23)32)29(34)36-15-18-10-6-3-7-11-18/h2-13,31,33H,14-15H2,1H3
InChIKey XCULZTFUMOCXHV-UHFFFAOYSA-N
Mol Weight 516.93 g/mol
Molecular Formula C29H21ClO7
Exact Mass 516.097581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nqfIzlpwaQ
Name 9H-Xanthene-2-carboxylic acid, 7-chloro-1,3-dihydroxy-8-methyl-9-oxo-6-(phenylmethoxy)-, phenylmethyl ester
Alternate Name(s) benzyl 6-(benzyloxy)-7-chloro-1,3-dihydroxy-8-methyl-9-oxo-9H-xanthene-2-carboxylate Benzyl 6-benzyloxy-7-chloro-1,3-dihydroxy-8-methyl-9-oxo-9H-xanthen-2-carboxylate
CAS Registry Number 131524-51-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21ClO7
InChI InChI=1S/C29H21ClO7/c1-16-23-21(13-22(26(16)30)35-14-17-8-4-2-5-9-17)37-20-12-19(31)24(28(33)25(20)27(23)32)29(34)36-15-18-10-6-3-7-11-18/h2-13,31,33H,14-15H2,1H3
InChIKey XCULZTFUMOCXHV-UHFFFAOYSA-N
Molecular Weight 516.933 g/mol
SMILES Oc1c(c(c2c(c1)Oc1cc(c(c(c1C2=O)C)Cl)OCc1ccccc1)O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-19a821ddf236400d1568
Source of Spectrum B-43-1753-10
Wiley ID 1401424