SpectraBase Spectrum ID |
uT8NTuo7oM |
Name |
Succinic acid, monoamide, N-methyl-N-phenyl, heptadecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
445.355594374 u |
Formula |
C28H47NO3 |
InChI |
InChI=1S/C28H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-32-28(31)24-23-27(30)29(2)26-21-18-17-19-22-26/h17-19,21-22H,3-16,20,23-25H2,1-2H3 |
InChIKey |
SAMBVETYGHNHAI-UHFFFAOYSA-N |
Molecular Weight |
445.688 g/mol |
SMILES |
C(CCCCCCOC(CCC(N(C1=CC=CC=C1)C)=O)=O)CCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916359 |