| SpectraBase Spectrum ID |
4aAMwty1flF |
| Name |
1,3-di(Octyl)-3,4,6,7,8,8A-hexahydro-1H-isochromene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.354866100 u |
| Formula |
C25H46O |
| InChI |
InChI=1S/C25H46O/c1-3-5-7-9-11-13-18-23-21-22-17-15-16-19-24(22)25(26-23)20-14-12-10-8-6-4-2/h17,23-25H,3-16,18-21H2,1-2H3 |
| InChIKey |
WXFORQDHUXBQQZ-UHFFFAOYSA-N |
| Molecular Weight |
362.642 g/mol |
| SMILES |
C=12C(C(CCCCCCCC)OC(C2)CCCCCCCC)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900494 |
