SpectraBase Spectrum ID |
IJhKS7xeiNo |
Name |
Isonipecotic acid, N-methoxycarbonyl-, dodecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
355.272258671 u |
Formula |
C20H37NO4 |
InChI |
InChI=1S/C20H37NO4/c1-3-4-5-6-7-8-9-10-11-12-17-25-19(22)18-13-15-21(16-14-18)20(23)24-2/h18H,3-17H2,1-2H3 |
InChIKey |
RCZSYRBCWJYIFQ-UHFFFAOYSA-N |
Molecular Weight |
355.519 g/mol |
SMILES |
C1N(CCC(C1)C(OCCCCCCCCCCCC)=O)C(OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81973 |