| SpectraBase Spectrum ID |
6bRCF1tEE0p |
| Name |
Acetic acid (1R,5R,6S)-7-bromo-4,5-dimethoxy-2-oxo-bicyclo[4.1.0]hept-3-en-3-yl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H13BrO5 |
| InChI |
InChI=1S/C11H13BrO5/c1-4(13)17-10-8(14)5-6(7(5)12)9(15-2)11(10)16-3/h5-7,9H,1-3H3/t5-,6+,7?,9+/m0/s1 |
| InChIKey |
DQCBPVPSDGPOAL-WXUAPADQSA-N |
| Molecular Weight |
305.124 g/mol |
| SMILES |
[C@@]12([C@]([C@@](OC)(C(=C(C2=O)OC(=O)C)OC)[H])([H])C1Br)[H] |
| SPLASH |
splash10-001i-0900000000-20f046dc315caff9b5e9 |
| Source of Spectrum |
KC-1992-1333-24 |
| Synonyms |
(1.alpha.,5.alpha.,6.alpha.)-3-Acetoxy-exo-7-Bromo-3-hydroxy-4,5-dimethoxybicyclo[4.1.0]hept-3-en-2-one
(1R,5R,6S)-7-bromo-4,5-dimethoxy-2-oxobicyclo[4.1.0]hept-3-en-3-yl acetate |
| Wiley ID |
776318 |
![Acetic acid (1R,5R,6S)-7-bromo-4,5-dimethoxy-2-oxo-bicyclo[4.1.0]hept-3-en-3-yl ester](/api/spectrum/6bRCF1tEE0p/structure.png?h=300&w=458 "Acetic acid (1R,5R,6S)-7-bromo-4,5-dimethoxy-2-oxo-bicyclo[4.1.0]hept-3-en-3-yl ester")
