| SpectraBase Spectrum ID |
8aufqyBOmoi |
| Name |
Proline, 4-cyano-2-methyl-5-phenyl-, methyl ester, (2.alpha.,4.alpha.,5.alpha.)-(.+-.)- |
| Alternate Name(s) |
2-Methoxycarbonyl-2-methyl-4.alpha.-cyano-5-phenyl-2,3,4,5-tetrahydropyrrole
methyl (2R,4S,5R)-4-cyano-2-methyl-5-phenyl-2-pyrrolidinecarboxylate |
| CAS Registry Number |
113273-79-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16N2O2 |
| InChI |
InChI=1S/C14H16N2O2/c1-14(13(17)18-2)8-11(9-15)12(16-14)10-6-4-3-5-7-10/h3-7,11-12,16H,8H2,1-2H3/t11-,12+,14-/m1/s1 |
| InChIKey |
PKABHMPJQOVZOL-MBNYWOFBSA-N |
| Molecular Weight |
244.294 g/mol |
| SMILES |
N1[C@]([C@](C[C@@]1(C(=O)OC)C)(C#N)[H])(c1ccccc1)[H] |
| SPLASH |
splash10-000i-0900000000-dc482b9ed3107ba33d73 |
| Source of Spectrum |
J-53-1390-3 |
| Wiley ID |
1247145 |
