| SpectraBase Spectrum ID |
9ZR8yZZZwjZ |
| Name |
(1S,2S,3R)-3-(2-Bromo-benzoylamino)-cyclohex-4-ene-1,2-dicarboxylic acid diethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22BrNO5 |
| InChI |
InChI=1S/C19H22BrNO5/c1-3-25-18(23)13-9-7-11-15(16(13)19(24)26-4-2)21-17(22)12-8-5-6-10-14(12)20/h5-8,10-11,13,15-16H,3-4,9H2,1-2H3,(H,21,22)/t13-,15+,16-/m0/s1 |
| InChIKey |
ZBMJXITWAHPVBL-IMJJTQAJSA-N |
| Molecular Weight |
424.291 g/mol |
| SMILES |
N(C(c1c(Br)cccc1)=O)[C@]1([C@]([C@@](C(=O)OCC)(CC=C1)[H])(C(=O)OCC)[H])[H] |
| SPLASH |
splash10-06a3-0920000000-20b86c8dede45cacc612 |
| Source of Spectrum |
F4-0-2034-4 |
| Synonyms |
Diethyl (1S,2S,3R)-3-[(2-bromobenzoyl)amino]-4-cyclohexene-1,2-dicarboxylate
Diethyl 3-(2'-Bromobenzamido)cyclohex-4-ene-1,2-dicarboxylate |
| Wiley ID |
1618467 |
