For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 9-chloro-8-hydroxy-3-methoxy-1,4,6-trimethyl-11-oxo-
SpectraBase Compound ID D4I2L9STrHK
InChI InChI=1S/C18H15ClO7/c1-6-5-9(24-4)7(2)14-10(6)18(23)26-16-12(19)13(20)11(17(21)22)8(3)15(16)25-14/h5,20H,1-4H3,(H,21,22)
InChIKey IRSUFGFBJRGJCV-UHFFFAOYSA-N
Mol Weight 378.76 g/mol
Molecular Formula C18H15ClO7
Exact Mass 378.050631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Dbo2EpRCka2
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 9-chloro-8-hydroxy-3-methoxy-1,4,6-trimethyl-11-oxo-
CAS Registry Number 38629-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClO7
InChI InChI=1S/C18H15ClO7/c1-6-5-9(24-4)7(2)14-10(6)18(23)26-16-12(19)13(20)11(17(21)22)8(3)15(16)25-14/h5,20H,1-4H3,(H,21,22)
InChIKey IRSUFGFBJRGJCV-UHFFFAOYSA-N
Molecular Weight 378.764 g/mol
SMILES Oc1c(c2c(c(c1C(O)=O)C)Oc1c(c(cc(c1C(O2)=O)C)OC)C)Cl
SPLASH splash10-0006-9045000000-84ba06169c68ac0b96cd
Source of Spectrum B-25-2178-15
Synonyms 9-Chloro-8-hydroxy-3-methoxy-1,4,6-trimethyl-11-oxo-11H-dibenzo[b,E][1,4]dioxepine-7-carboxylic acid 4-Chloranyl-9-methoxy-1,7,10-trimethyl-3-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid 4-Chloro-3-hydroxy-6-keto-9-methoxy-1,7,10-trimethyl-benzo[b][1,4]benzodioxepin-2-carboxylic acid 4-Chloro-3-hydroxy-9-methoxy-1,7,10-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid 4-Chloro-3-hydroxy-9-methoxy-1,7,10-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid
Wiley ID 1358588