| SpectraBase Spectrum ID |
EO1FxgCmpK0 |
| Name |
4-Isobenzofurancarboxylic acid, 5-(benzoyloxy)-6,7-dibromooctahydro-3-oxo-, methyl ester |
| Alternate Name(s) |
5-(benzoyloxy)-1,3,3a,4,5,6,7,7a-octahydro-3-oxo-6,7-dibromo-4-isobenzofurancarboxylic acid methyl ester
methyl 5-(benzoyloxy)-6,7-dibromo-3-oxooctahydro-2-benzofuran-4-carboxylate |
| CAS Registry Number |
114133-16-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16Br2O6 |
| InChI |
InChI=1S/C17H16Br2O6/c1-23-16(21)11-10-9(7-24-17(10)22)12(18)13(19)14(11)25-15(20)8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3 |
| InChIKey |
KZKHAIBOEVACBN-UHFFFAOYSA-N |
| Molecular Weight |
476.117 g/mol |
| SMILES |
C1(C2C(COC2=O)C(C(C1OC(=O)c1ccccc1)Br)Br)C(=O)OC |
| SPLASH |
splash10-0a4i-0900000000-305dd5f0164934356aad |
| Source of Spectrum |
J-53-1870-32 |
| Wiley ID |
1393733 |
