| SpectraBase Spectrum ID |
DEowwnwv0bZ |
| Name |
(3R)-3-(Benzyloxycarbonylamino)-4-ethyl-hexanoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.178358285 u |
| Formula |
C17H25NO4 |
| InChI |
InChI=1S/C17H25NO4/c1-4-14(5-2)15(11-16(19)21-3)18-17(20)22-12-13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3,(H,18,20)/t15-/m1/s1 |
| InChIKey |
SVFHESBSVDAMTH-OAHLLOKOSA-N |
| Molecular Weight |
307.390 g/mol |
| SMILES |
C(N[C@](CC(=O)OC)(C(CC)CC)[H])(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888848 |
