| SpectraBase Spectrum ID |
GXqKdvLU57b |
| Name |
Isonipecotic acid, N-benzyloxycarbonyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.147058156 u |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-2-20-15(18)14-8-10-17(11-9-14)16(19)21-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3 |
| InChIKey |
XXDBOGXZKIODTO-UHFFFAOYSA-N |
| SMILES |
C(OC(=O)N1CCC(C(=O)OCC)CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924939 |
