SpectraBase Spectrum ID |
2RfnlCGoFMC |
Name |
L-Norleucine, N-methoxycarbonyl-, undecyl 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/c1-4-6-8-9-10-11-12-13-14-16-24-18(21)17(15-7-5-2)20-19(22)23-3/h17H,4-16H2,1-3H3,(H,20,22) |
InChIKey |
BOQBFQVIBGPALL-UHFFFAOYSA-N |
Molecular Weight |
343.508 g/mol |
SMILES |
C(CCCOC(C(NC(OC)=O)CCCC)=O)CCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850494 |