| SpectraBase Spectrum ID |
5vxLlm97ga1 |
| Name |
(3R,4S)-1-(2-Tert-butoxy-2-keto-ethyl)-2-keto-4-phenyl-nipecotic acid benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.204573033 u |
| Formula |
C25H29NO5 |
| InChI |
InChI=1S/C25H29NO5/c1-25(2,3)31-21(27)16-26-15-14-20(19-12-8-5-9-13-19)22(23(26)28)24(29)30-17-18-10-6-4-7-11-18/h4-13,20,22H,14-17H2,1-3H3/t20-,22-/m1/s1 |
| InChIKey |
RSVUJMUGYCBGBN-IFMALSPDSA-N |
| Molecular Weight |
423.509 g/mol |
| SMILES |
[C@]1(C(N(CC(OC(C)(C)C)=O)CC[C@@]1(C1=CC=CC=C1)[H])=O)(C(OCC=1C=CC=CC1)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84638 |
