SpectraBase Compound ID | 5PMX5BoBDaM |
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InChI | InChI=1S/C21H22O7/c1-9-8-13(24-5)10(2)17-14(9)21(23)28-19-12(4)16(25-6)15(20(22)26-7)11(3)18(19)27-17/h8H,1-7H3 |
InChIKey | HJOIJGXPJAWTJZ-UHFFFAOYSA-N |
Mol Weight | 386.4 g/mol |
Molecular Formula | C21H22O7 |
Exact Mass | 386.136553 g/mol |
SpectraBase Spectrum ID | 6LJxTUPMBUS |
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Name | 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dimethoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester |
CAS Registry Number | 4723-32-4 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H22O7 |
InChI | InChI=1S/C21H22O7/c1-9-8-13(24-5)10(2)17-14(9)21(23)28-19-12(4)16(25-6)15(20(22)26-7)11(3)18(19)27-17/h8H,1-7H3 |
InChIKey | HJOIJGXPJAWTJZ-UHFFFAOYSA-N |
Molecular Weight | 386.400 g/mol |
SMILES | Cc1cc(c(C)c2c1C(=O)Oc1c(C)c(c(c(C)c1O2)C(=O)OC)OC)OC |
SPLASH | splash10-0540-0509000000-ff1e41d971a25ea987c6 |
Source of Spectrum | I-55-2844-0 |
Synonyms | Methyl 3,8-dimethoxy-1,4,6,9-tetramethyl-11-oxo-11H-dibenzo[b,E][1,4]dioxepine-7-carboxylate 3,9-Dimethoxy-1,4,7,10-tetramethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester 6-keto-3,9-dimethoxy-1,4,7,10-tetramethyl-benzo[b][1,4]benzodioxepin-2-carboxylic acid methyl ester Methyl 3,9-dimethoxy-1,4,7,10-tetramethyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylate Methyl 3,9-dimethoxy-1,4,7,10-tetramethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylate |
Wiley ID | 1362590 |