| SpectraBase Spectrum ID |
58OBooxB0N1 |
| Name |
19-Hexacosenoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.444015458 u |
| Formula |
C30H57NO |
| InChI |
InChI=1S/C30H57NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-30(2,3)28-32-29/h9-10H,4-8,11-28H2,1-3H3/b10-9- |
| InChIKey |
ZKGIBYNMLBHXPL-KTKRTIGZSA-N |
| Molecular Weight |
447.792 g/mol |
| SMILES |
C=1(OCC(N1)(C)C)CCCCCCCCCCCCCCCCC\C=C/CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953572 |
