| SpectraBase Spectrum ID |
55KiI3SSYST |
| Name |
dl-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.319208865 u |
| Formula |
C23H43NO4 |
| InChI |
InChI=1S/C23H43NO4/c1-6-8-10-11-12-13-14-15-16-17-19-27-22(25)21(20(3)4)24(5)23(26)28-18-9-7-2/h7,20-21H,2,6,8-19H2,1,3-5H3 |
| InChIKey |
UPJWVXVPECTFJC-UHFFFAOYSA-N |
| Molecular Weight |
397.600 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCC)=O)N(C)C(=O)OCCC=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862977 |
