| SpectraBase Spectrum ID |
7PN3bAWNTiN |
| Name |
2-Isoxazolidinepropanenitrile, 4-cyano-3-methyl-, cis- |
| Alternate Name(s) |
(3R,4R)-2-(2-cyanoethyl)-3-methyl-4-isoxazolidinecarbonitrile
2-(2-Cyanoethyl)-3-methyl-4- and 5-cyanoisoxazolidine |
| CAS Registry Number |
89903-01-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H11N3O |
| InChI |
InChI=1S/C8H11N3O/c1-7-8(5-10)6-12-11(7)4-2-3-9/h7-8H,2,4,6H2,1H3/t7-,8-/m1/s1 |
| InChIKey |
RLCGILLRPMDVED-HTQZYQBOSA-N |
| Molecular Weight |
165.196 g/mol |
| SMILES |
C1ON([C@@]([C@@]1(C#N)[H])(C)[H])CCC#N |
| SPLASH |
splash10-00di-0900000000-8c1e241fa51ec8cca3a8 |
| Source of Spectrum |
KC-1984-54-0 |
| Wiley ID |
1161298 |
