| SpectraBase Spectrum ID |
AxOj6AzwUoe |
| Name |
1H-Indene-4-carboxylic acid, 7-bromo-1-cyanooctahydro-6-hydroxy-7a-methyl-5-(1-methylethyl)-, methyl ester, (1.alpha.,3a.alpha.,4.beta.,5.alpha.,6.beta.,7.alpha.,7a.alpha.)-(.+- .)- |
| Alternate Name(s) |
Methyl (1R,3aS,4R,5S,6R,7R,7aR)-7-bromo-1-cyano-6-hydroxy-5-isopropyl-7a-methyloctahydro-1H-indene-4-carboxylate
Methyl ester of 7.alpha.-bromo-1.alpha.-cyano-6.beta.-hydroxy-7a.alpha.-methyl-5.alpha.-(2-propyl)-2,3,3a.alpha.,4,5,6,7,7a-octahydro-1H-indene-4.beta.-carboxylic acid |
| CAS Registry Number |
73540-91-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24BrNO3 |
| InChI |
InChI=1S/C16H24BrNO3/c1-8(2)11-12(15(20)21-4)10-6-5-9(7-18)16(10,3)14(17)13(11)19/h8-14,19H,5-6H2,1-4H3/t9-,10-,11-,12+,13+,14-,16-/m0/s1 |
| InChIKey |
IISIOIXJJTWZMV-ZDFQDXCVSA-N |
| Molecular Weight |
358.276 g/mol |
| SMILES |
O[C@@]1([C@@](C(C)C)([C@@]([C@]2([C@@]([C@]1(Br)[H])([C@](C#N)(CC2)[H])C)[H])(C(=O)OC)[H])[H])[H] |
| SPLASH |
splash10-0w29-0090000000-a8e8b44126b7a9dfceb3 |
| Source of Spectrum |
C-102-1401-0 |
| Wiley ID |
1346358 |
