| SpectraBase Spectrum ID |
2D7KbBkBwkw |
| Name |
Isonipecotic acid, N-(3-methylbenzoyl)-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
471.371244439 u |
| Formula |
C30H49NO3 |
| InChI |
InChI=1S/C30H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-34-30(33)27-20-22-31(23-21-27)29(32)28-19-17-18-26(2)25-28/h17-19,25,27H,3-16,20-24H2,1-2H3 |
| InChIKey |
PVWWYRGLTJCUKP-UHFFFAOYSA-N |
| Molecular Weight |
471.726 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC(=CC=C2)C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843433 |
