| SpectraBase Spectrum ID |
CI5PvWBfanZ |
| Name |
[(1S,6S)-3-bromo-6-hydroxy-cyclohex-2-en-1-yl] 4-nitrobenzoate |
| Appearance |
Light yellow clear oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12BrNO5 |
| InChI |
InChI=1S/C13H12BrNO5/c14-9-3-6-11(16)12(7-9)20-13(17)8-1-4-10(5-2-8)15(18)19/h1-2,4-5,7,11-12,16H,3,6H2/t11-,12-/m0/s1 |
| InChIKey |
LZBBUKUWWZJZDC-RYUDHWBXSA-N |
| Instrument Name |
AUTOSPEC or Kratos Analytical Concept ISQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0005.a07 |
| Molecular Weight |
342.145 g/mol |
| Optical Rotation |
[a]D = +7.7 (c = 1.2) |
| SMILES |
O[C@]1(CCC(=C[C@@]1(OC(c1ccc(cc1)[N+]([O-])=O)=O)[H])Br)[H] |
| SPLASH |
splash10-0udi-0904000000-5252a955d179545c25ad |
| Source of Spectrum |
ARK-2004-59-11 |
| Thin-Layer Chromatography |
Rf = 0.5 (ethyl acetate/hexane, 1:1) |
| Wiley ID |
1875773 |
![[(1S,6S)-3-bromo-6-hydroxy-cyclohex-2-en-1-yl] 4-nitrobenzoate](/api/spectrum/CI5PvWBfanZ/structure.png?h=300&w=458 "[(1S,6S)-3-bromo-6-hydroxy-cyclohex-2-en-1-yl] 4-nitrobenzoate")
