SpectraBase Spectrum ID |
AeA4ELGHFe |
Name |
Glycine, N-butoxycarbonyl-, dodecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
343.272258671 u |
Formula |
C19H37NO4 |
InChI |
InChI=1S/C19H37NO4/c1-3-5-7-8-9-10-11-12-13-14-16-23-18(21)17-20-19(22)24-15-6-4-2/h3-17H2,1-2H3,(H,20,22) |
InChIKey |
XUOUUPWFUHNVOI-UHFFFAOYSA-N |
Molecular Weight |
343.508 g/mol |
SMILES |
CCCCOC(NCC(OCCCCCCCCCCCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82931 |