| SpectraBase Spectrum ID |
9Yoncpz1Qij |
| Name |
3,5-Dioctylbenzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.292265843 u |
| Formula |
C23H38O |
| InChI |
InChI=1S/C23H38O/c1-3-5-7-9-11-13-15-21-17-22(19-23(18-21)20-24)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3 |
| InChIKey |
ZXUNUMNWDZUVHL-UHFFFAOYSA-N |
| Molecular Weight |
330.556 g/mol |
| SMILES |
C(=O)C1=CC(CCCCCCCC)=CC(=C1)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924255 |
