| SpectraBase Spectrum ID |
Hxnph66dZ5t |
| Name |
3-Pyrrolidinecarboxylic acid, 5-[[(1,1-dimethylethyl)amino]carbonyl]-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,5.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.178692638 u |
| Formula |
C17H24N2O3 |
| InChI |
InChI=1S/C17H24N2O3/c1-17(2,3)19-15(20)13-10-12(16(21)22-4)14(18-13)11-8-6-5-7-9-11/h5-9,12-14,18H,10H2,1-4H3,(H,19,20)/t12-,13-,14-/m0/s1 |
| InChIKey |
AREZSODGKRQJBW-IHRRRGAJSA-N |
| Molecular Weight |
304.390 g/mol |
| SMILES |
[C@@]1([C@@](N[C@@](C1)(C(NC(C)(C)C)=O)[H])(C=1C=CC=CC1)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867957 |
![3-Pyrrolidinecarboxylic acid, 5-[[(1,1-dimethylethyl)amino]carbonyl]-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,5.alpha.)-(.+-.)-](/api/spectrum/Hxnph66dZ5t/structure.png?h=300&w=458 "3-Pyrrolidinecarboxylic acid, 5-[[(1,1-dimethylethyl)amino]carbonyl]-2-phenyl-, methyl ester, (2.alpha.,3.alpha.,5.alpha.)-(.+-.)-")
