| SpectraBase Spectrum ID |
6OXvBD6Es2d |
| Name |
(.alpha.S,3rs)-N-[1-(Methoxycarbonyl)-3-methylbutyl]-3-phthaloyl-.delta.(5)-piperidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.152871811 u |
| Formula |
C20H22N2O5 |
| InChI |
InChI=1S/C20H22N2O5/c1-12(2)11-16(20(26)27-3)21-10-6-9-15(19(21)25)22-17(23)13-7-4-5-8-14(13)18(22)24/h4-8,10,12,15-16H,9,11H2,1-3H3/t15?,16-/m0/s1 |
| InChIKey |
LRPOCTBWUJWXNC-LYKKTTPLSA-N |
| Molecular Weight |
370.405 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)C1C(N([C@](C(=O)OC)(CC(C)C)[H])C=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913727 |
![(.alpha.S,3rs)-N-[1-(Methoxycarbonyl)-3-methylbutyl]-3-phthaloyl-.delta.(5)-piperidin-2-one](/api/spectrum/6OXvBD6Es2d/structure.png?h=300&w=458 "(.alpha.S,3rs)-N-[1-(Methoxycarbonyl)-3-methylbutyl]-3-phthaloyl-.delta.(5)-piperidin-2-one")
