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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6-trimethyl-11-oxo-
SpectraBase Compound ID KWLgPFtQQyo
InChI InChI=1S/C18H16O7/c1-7-5-11(23-4)8(2)16-13(7)18(22)24-12-6-10(19)14(17(20)21)9(3)15(12)25-16/h5-6,19H,1-4H3,(H,20,21)
InChIKey IXEVSIMCIWOSQO-UHFFFAOYSA-N
Mol Weight 344.32 g/mol
Molecular Formula C18H16O7
Exact Mass 344.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MuH6V6zmgZ
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6-trimethyl-11-oxo-
CAS Registry Number 38636-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O7
InChI InChI=1S/C18H16O7/c1-7-5-11(23-4)8(2)16-13(7)18(22)24-12-6-10(19)14(17(20)21)9(3)15(12)25-16/h5-6,19H,1-4H3,(H,20,21)
InChIKey IXEVSIMCIWOSQO-UHFFFAOYSA-N
Molecular Weight 344.319 g/mol
SMILES OC(c1c(c2c(cc1O)OC(c1c(cc(c(c1O2)C)OC)C)=O)C)=O
SPLASH splash10-0006-6494000000-62fcbe1522a26b7a7869
Source of Spectrum B-25-2177-2
Synonyms 8-Hydroxy-3-methoxy-1,4,6-trimethyl-11-oxo-11H-dibenzo[b,E][1,4]dioxepine-7-carboxylic acid 3-Hydroxy-6-keto-9-methoxy-1,7,10-trimethyl-benzo[b][1,4]benzodioxepin-2-carboxylic acid 3-Hydroxy-9-methoxy-1,7,10-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid 3-Hydroxy-9-methoxy-1,7,10-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid 9-Methoxy-1,7,10-trimethyl-3-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid Notatic acid
Wiley ID 51152