| SpectraBase Spectrum ID |
89isXTrKnDs |
| Name |
rac-(3R,3aS,4R,5R,6S,7S,7aR)-3-acetoxy-5,6-dibromohexahydro-4,7-methanoisobenzofuran-1(3H)-one |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12Br2O4 |
| InChI |
InChI=1S/C11H12Br2O4/c1-3(14)16-11-7-5-2-4(8(12)9(5)13)6(7)10(15)17-11/h4-9,11H,2H2,1H3/t4-,5+,6-,7+,8-,9+,11+/m0/s1 |
| InChIKey |
JOWJTVQBUULVGG-PWFCOHEESA-N |
| Instrument Name |
Shimadzu GC-17A-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.201800557 |
| Molecular Weight |
368.021 g/mol |
| Reported Formula |
C11H12Br2O4 |
| SMILES |
[C@]1([C@@]2([C@]3([C@@]([C@]([C@]1(Br)[H])(C2)[H])([C@@](OC3=O)(OC(=O)C)[H])[H])[H])[H])(Br)[H] |
| SPLASH |
splash10-002g-9070000000-2af12b99399b5f68fac9 |
| Source of Spectrum |
CBD-16-SM6-11 |
| Synonyms |
rac-(1R,3aR,4S,5S,6R,7R,7aS)-5,6-dibromo-3-oxooctahydro-4,7-methano-2-benzofuran-1-yl acetate |
| Thin-Layer Chromatography |
Rf = 0.61 (hexane/EtOAc, 1:1) |
| Wiley ID |
1835398 |
