| SpectraBase Spectrum ID |
GxUHtYzi3xH |
| Name |
D-Allylglycine, N-benzyloxycarbonyl-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.178358285 u |
| Formula |
C18H25NO4 |
| InChI |
InChI=1S/C18H25NO4/c1-3-5-9-13-22-17(20)16(10-4-2)19-18(21)23-14-15-11-7-6-8-12-15/h4,6-8,11-12,16H,2-3,5,9-10,13-14H2,1H3,(H,19,21) |
| InChIKey |
CGOUWHVIFORHBW-UHFFFAOYSA-N |
| Molecular Weight |
319.401 g/mol |
| SMILES |
C(NC(OCC1=CC=CC=C1)=O)(C(=O)OCCCCC)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927235 |
