| SpectraBase Spectrum ID |
1sXsky6OfOO |
| Name |
(2R,5R)-Dimethyl-N-boc-2-phenylpyrrolidin-3,3-dicarboxylate-5-dimethyl malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.194796192 u |
| Formula |
C24H31NO10 |
| InChI |
InChI=1S/C24H31NO10/c1-23(2,3)35-22(30)25-15(16(18(26)31-4)19(27)32-5)13-24(20(28)33-6,21(29)34-7)17(25)14-11-9-8-10-12-14/h8-12,15-17H,13H2,1-7H3/t15-,17-/m1/s1 |
| InChIKey |
PXSUMXYZIAGZLT-NVXWUHKLSA-N |
| Molecular Weight |
493.509 g/mol |
| SMILES |
C1(C(OC)=O)([C@](N([C@](C1)(C(C(OC)=O)C(OC)=O)[H])C(=O)OC(C)(C)C)(C=1C=CC=CC1)[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948053 |
