SpectraBase Spectrum ID |
Y4RHaWMst2 |
Name |
Ethyl (2R,3R,4R)-N-(methoxycarbonyl)-4-benzyl-2,3-methanoprolinate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
303.147058156 u |
Formula |
C17H21NO4 |
InChI |
InChI=1S/C17H21NO4/c1-3-22-15(19)17-10-14(17)13(11-18(17)16(20)21-2)9-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3/t13-,14+,17+/m0/s1 |
InChIKey |
YBUYVJHXFVXNDE-JJRVBVJISA-N |
SMILES |
[C@]12(N(C(=O)OC)C[C@@]([C@@]2([H])C1)(CC1=CC=CC=C1)[H])C(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969403 |