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9H-Xanthen-9-one, 2-chloro-6,8-dihydroxy-1-methyl-3-(phenylmethoxy)-
SpectraBase Compound ID J8zFfwZeqMN
InChI InChI=1S/C21H15ClO5/c1-11-18-16(27-15-8-13(23)7-14(24)19(15)21(18)25)9-17(20(11)22)26-10-12-5-3-2-4-6-12/h2-9,23-24H,10H2,1H3
InChIKey LRPKUJMKNIVVRO-UHFFFAOYSA-N
Mol Weight 382.8 g/mol
Molecular Formula C21H15ClO5
Exact Mass 382.060801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYiEM0bT4KS
Name 9H-Xanthen-9-one, 2-chloro-6,8-dihydroxy-1-methyl-3-(phenylmethoxy)-
CAS Registry Number 131524-53-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClO5
InChI InChI=1S/C21H15ClO5/c1-11-18-16(27-15-8-13(23)7-14(24)19(15)21(18)25)9-17(20(11)22)26-10-12-5-3-2-4-6-12/h2-9,23-24H,10H2,1H3
InChIKey LRPKUJMKNIVVRO-UHFFFAOYSA-N
Molecular Weight 382.799 g/mol
SMILES Oc1cc(cc2Oc3c(C(c12)=O)c(c(c(c3)OCc1ccccc1)Cl)C)O
SPLASH splash10-0006-9005000000-1808a502bdcb28a2f91a
Source of Spectrum B-43-1753-12
Synonyms 3-(benzyloxy)-2-chloro-6,8-dihydroxy-1-methyl-9H-xanthen-9-one 6-Benzyloxy-7-chloro-1,3-dihydroxy-8-methyl-9H-xanthen-9-one 2-chloro-6,8-dihydroxy-1-methyl-3-phenylmethoxy-9-xanthenone 2-chloro-6,8-dihydroxy-1-methyl-3-phenylmethoxyxanthen-9-one 3-benzyloxy-2-chloro-6,8-dihydroxy-1-methyl-xanthen-9-one 2-chloranyl-1-methyl-6,8-bis(oxidanyl)-3-phenylmethoxy-xanthen-9-one
Wiley ID 1360523