| SpectraBase Spectrum ID |
LybEIdTstJR |
| Name |
6-para-Bromophenyl-3-formyl-2-hydroxy-2-methyl-5-nitro-4-phenylcyclohexanecarboxylic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22BrNO6 |
| InChI |
InChI=1S/C22H22BrNO6/c1-22(27)16(12-25)17(13-6-4-3-5-7-13)20(24(28)29)18(19(22)21(26)30-2)14-8-10-15(23)11-9-14/h3-12,16-20,27H,1-2H3/t16-,17-,18+,19-,20-,22-/m1/s1 |
| InChIKey |
BHFBXQWWNSFKLE-WWFOSYLESA-N |
| Literature Reference DOI |
10.1002/adsc.201200120 |
| Molecular Weight |
476.323 g/mol |
| SMILES |
O[C@]1([C@]([C@@]([C@@]([C@@]([C@]1(C=O)[H])(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccc(cc1)Br)[H])(C(=O)OC)[H])C |
| SPLASH |
splash10-003l-2219100000-ca0122b350287cdaabb6 |
| Source of Spectrum |
ASC-354-1485-5f |
| Synonyms |
(1S,2R,3R,4S,5R,6R)-methyl 6-(4-bromophenyl)-3-formyl-2-hydroxy-2-methyl-5-nitro-4-phenylcyclohexanecarboxylate |
| Wiley ID |
1763062 |
