| SpectraBase Spectrum ID |
6sNwccGr1VL |
| Name |
Z,Z-6,26-Pentatriacontadien-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.511366744 u |
| Formula |
C35H66O |
| InChI |
InChI=1S/C35H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(2)36/h10-11,30-31H,3-9,12-29,32-34H2,1-2H3/b11-10+,31-30+ |
| InChIKey |
OFLJFJTUEAYNIP-XPILCQMRSA-N |
| Molecular Weight |
502.912 g/mol |
| SMILES |
C(CCCCCCCCCCCCCCCCC\C=C\CCCC(C)=O)\C=C\CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980748 |
