| SpectraBase Spectrum ID |
Gqx0FtyYoDM |
| Name |
.beta.-Alanine, N-benzyloxycarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.272258671 u |
| Formula |
C23H37NO4 |
| InChI |
InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-14-19-27-22(25)17-18-24-23(26)28-20-21-15-12-11-13-16-21/h11-13,15-16H,2-10,14,17-20H2,1H3,(H,24,26) |
| InChIKey |
FBIHUSFYYZEOLZ-UHFFFAOYSA-N |
| Molecular Weight |
391.552 g/mol |
| SMILES |
C1(=CC=CC=C1)COC(NCCC(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807488 |
