![2H,8H-Benzo[1,2-b:5,4-b']dipyran-10-propanoic acid, 3,7-dibromo-5-methoxy-2,2,8,8-tetramethyl-, methyl ester](/api/spectrum/E8TWOnJ47J3/structure.png?h=300&w=458 "2H,8H-Benzo[1,2-b:5,4-b']dipyran-10-propanoic acid, 3,7-dibromo-5-methoxy-2,2,8,8-tetramethyl-, methyl ester")
| SpectraBase Compound ID | FNsfHvzZ3t6 |
|---|---|
| InChI | InChI=1S/C21H24Br2O5/c1-20(2)14(22)9-12-17(26-6)13-10-15(23)21(3,4)28-19(13)11(18(12)27-20)7-8-16(24)25-5/h9-10H,7-8H2,1-6H3 |
| InChIKey | XVYOCWQBRXBIEA-UHFFFAOYSA-N |
| Mol Weight | 516.23 g/mol |
| Molecular Formula | C21H24Br2O5 |
| Exact Mass | 513.99905 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E8TWOnJ47J3 |
|---|---|
| Name | 2H,8H-Benzo[1,2-b:5,4-b']dipyran-10-propanoic acid, 3,7-dibromo-5-methoxy-2,2,8,8-tetramethyl-, methyl ester |
| CAS Registry Number | 56336-17-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24Br2O5 |
| InChI | InChI=1S/C21H24Br2O5/c1-20(2)14(22)9-12-17(26-6)13-10-15(23)21(3,4)28-19(13)11(18(12)27-20)7-8-16(24)25-5/h9-10H,7-8H2,1-6H3 |
| InChIKey | XVYOCWQBRXBIEA-UHFFFAOYSA-N |
| Molecular Weight | 516.226 g/mol |
| SMILES | CC1(C)C(=Cc2c(c(CCC(=O)OC)c3c(C=C(C(C)(C)O3)Br)c2OC)O1)Br |
| SPLASH | splash10-0uxr-1222590000-226d22311ce59c957953 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Methyl 3-(3,7-dibromo-5-methoxy-2,2,8,8-tetramethyl-2H,8H-pyrano[3,2-g]chromen-10-yl)propanoate 3-(3,7-dibromo-5-methoxy-2,2,8,8-tetramethyl-10-pyrano[3,2-g][1]benzopyranyl)propanoic acid methyl ester 3-(3,7-dibromo-5-methoxy-2,2,8,8-tetramethyl-pyrano[3,2-g]chromen-10-yl)propionic acid methyl ester Methyl 3-(3,7-dibromo-5-methoxy-2,2,8,8-tetramethyl-pyrano[3,2-g]chromen-10-yl)propanoate Methyl 3-[3,7-bis(bromanyl)-5-methoxy-2,2,8,8-tetramethyl-pyrano[3,2-g]chromen-10-yl]propanoate |
| Wiley ID | 1401039 |