| SpectraBase Spectrum ID |
3qReyFn7P5c |
| Name |
(2S,3R,4R)-4-Benzyloxycarbonylmethyl-3-(4-methoxyphenyl)-5-oxopyrrolodine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.204966954 u |
| Formula |
C27H31NO8 |
| InChI |
InChI=1S/C27H31NO8/c1-27(2,3)36-26(32)28-23(25(31)34-5)22(18-11-13-19(33-4)14-12-18)20(24(28)30)15-21(29)35-16-17-9-7-6-8-10-17/h6-14,20,22-23H,15-16H2,1-5H3/t20-,22-,23-/m0/s1 |
| InChIKey |
RTIWBZWIWOMSGM-PMVMPFDFSA-N |
| Molecular Weight |
497.544 g/mol |
| SMILES |
C1(N([C@@]([C@]([C@@]1(CC(=O)OCC1=CC=CC=C1)[H])(C=1C=CC(=CC1)OC)[H])(C(=O)OC)[H])C(OC(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914924 |
