| SpectraBase Spectrum ID |
BlSUTtH8E4g |
| Name |
(1'R(*),2'S(*),2"R(*))-[2'-(3"-bromo-2"-hydroxypropyl)-2'-methylcyclohexyl]acetonitrile |
| CAS Registry Number |
131616-96-1 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20BrNO |
| InChI |
InChI=1S/C12H20BrNO/c1-12(8-11(15)9-13)6-3-2-4-10(12)5-7-14/h10-11,15H,2-6,8-9H2,1H3/t10-,11-,12+/m1/s1 |
| InChIKey |
FKADMYRLEITAAU-UTUOFQBUSA-N |
| Molecular Weight |
274.202 g/mol |
| SMILES |
O[C@](C[C@]1([C@@](CC#N)(CCCC1)[H])C)(CBr)[H] |
| SPLASH |
splash10-000i-0900000000-1627c3ad70ce6dc79d3e |
| Source of Spectrum |
B-43-1324-31 |
| Synonyms |
(1'R(*),2'S(*),2''S(*))-[2'-(3''-bromo-2''-hydroxypropyl)-2'-methylccylohexyl]acetonitrile
{(1R,2S)-2-[(2R)-3-bromo-2-hydroxypropyl]-2-methylcyclohexyl}acetonitrile |
| Wiley ID |
1277057 |
![(1'R(*),2'S(*),2"R(*))-[2'-(3"-bromo-2"-hydroxypropyl)-2'-methylcyclohexyl]acetonitrile](/api/spectrum/BlSUTtH8E4g/structure.png?h=300&w=458 "(1'R(*),2'S(*),2\"R(*))-[2'-(3\"-bromo-2\"-hydroxypropyl)-2'-methylcyclohexyl]acetonitrile")
