| SpectraBase Spectrum ID |
HBaJ8kEW8B2 |
| Name |
(2R,4S)-1-[2-(Benzylamino)ethyl]-4-methyl-pyrrolidine-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.236207514 u |
| Formula |
C21H32N2O4 |
| InChI |
InChI=1S/C21H32N2O4/c1-20(2,3)27-18(24)17-13-21(4,19(25)26-5)15-23(17)12-11-22-14-16-9-7-6-8-10-16/h6-10,17,22H,11-15H2,1-5H3/t17-,21+/m1/s1 |
| InChIKey |
NKOWPSKWKRNALL-UTKZUKDTSA-N |
| Molecular Weight |
376.497 g/mol |
| SMILES |
[C@]1(C[C@](C(OC(C)(C)C)=O)(N(C1)CCNCC=1C=CC=CC1)[H])(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959045 |
![(2R,4S)-1-[2-(benzylamino)ethyl]-4-methyl-pyrrolidine-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester](/api/spectrum/HBaJ8kEW8B2/structure.png?h=300&w=458 "(2R,4S)-1-[2-(benzylamino)ethyl]-4-methyl-pyrrolidine-2,4-dicarboxylic acid O2-tert-butyl ester O4-methyl ester")
