| SpectraBase Spectrum ID |
1C2ZiURf0H2 |
| Name |
Benzyl (2S,3S)-3-methyl-2-phthalimidopentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.147058156 u |
| Formula |
C21H21NO4 |
| InChI |
InChI=1S/C21H21NO4/c1-3-14(2)18(21(25)26-13-15-9-5-4-6-10-15)22-19(23)16-11-7-8-12-17(16)20(22)24/h4-12,14,18H,3,13H2,1-2H3/t14-,18-/m0/s1 |
| InChIKey |
JZIBXCVYZJYRDT-KSSFIOAISA-N |
| Molecular Weight |
351.402 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)[C@](C(OCC=1C=CC=CC1)=O)([C@](CC)(C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889745 |
