| SpectraBase Spectrum ID |
JfjQslDoAzb |
| Name |
(.alpha.S,3rs)-N-[1-(Tert-butoxycarbonyl)-2-tert-butoxyethyl]-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 |
442.210386688 u |
| Formula |
C24H30N2O6 |
| InChI |
InChI=1S/C24H30N2O6/c1-23(2,3)31-14-18(22(30)32-24(4,5)6)25-13-9-12-17(21(25)29)26-19(27)15-10-7-8-11-16(15)20(26)28/h7-11,13,17-18H,12,14H2,1-6H3/t17?,18-/m0/s1 |
| InChIKey |
NALIPCSAIMPQKT-ZVAWYAOSSA-N |
| Molecular Weight |
442.512 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)C1C(N([C@](C(OC(C)(C)C)=O)(COC(C)(C)C)[H])C=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905976 |
![(.alpha.S,3rs)-N-[1-(Tert-butoxycarbonyl)-2-tert-butoxyethyl]-3-phthaloyl-.delta.(5)-piperidin-2-one](/api/spectrum/JfjQslDoAzb/structure.png?h=300&w=458 "(.alpha.S,3rs)-N-[1-(Tert-butoxycarbonyl)-2-tert-butoxyethyl]-3-phthaloyl-.delta.(5)-piperidin-2-one")
