| SpectraBase Spectrum ID |
FU6J4SrD9bw |
| Name |
2-Isoxazolidinepropanenitrile, 4-cyano-3-(1-methylethyl)-, cis- |
| Alternate Name(s) |
(3R,4R)-2-(2-cyanoethyl)-3-isopropyl-4-isoxazolidinecarbonitrile
2-(2-Cyanoethyl)-3-isopropyl-4- and -5-cyanoisoxazolidine |
| CAS Registry Number |
89903-13-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H15N3O |
| InChI |
InChI=1S/C10H15N3O/c1-8(2)10-9(6-12)7-14-13(10)5-3-4-11/h8-10H,3,5,7H2,1-2H3/t9-,10-/m1/s1 |
| InChIKey |
MBXCMLWFNWQTCV-NXEZZACHSA-N |
| Molecular Weight |
193.250 g/mol |
| SMILES |
C1ON([C@@]([C@@]1(C#N)[H])(C(C)C)[H])CCC#N |
| SPLASH |
splash10-0udi-0900000000-adab4e9846edba42c9af |
| Source of Spectrum |
KC-1984-55-0 |
| Wiley ID |
1189567 |
