| SpectraBase Spectrum ID |
6JUnuys9OkV |
| Name |
1,2,6-Piperidinetricarboxylic acid, 4-oxo-, 2,6-bis(1,1-dimethylethyl) 1-(phenylmethyl) ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.210052335 u |
| Formula |
C23H31NO7 |
| InChI |
InChI=1S/C23H31NO7/c1-22(2,3)30-19(26)17-12-16(25)13-18(20(27)31-23(4,5)6)24(17)21(28)29-14-15-10-8-7-9-11-15/h7-11,17-18H,12-14H2,1-6H3/t17-,18+ |
| InChIKey |
RHNVPNZRTBQVCV-HDICACEKSA-N |
| Molecular Weight |
433.501 g/mol |
| SMILES |
[C@]1(N([C@](CC(C1)=O)(C(OC(C)(C)C)=O)[H])C(OCC=1C=CC=CC1)=O)(C(OC(C)(C)C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986252 |
