| SpectraBase Spectrum ID |
7TyVDEJcLvE |
| Name |
Benzene, 1-(1-hydroxyheptyl)-3-[1-(tetrahydropyran-2-yloxy)heptyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.313395209 u |
| Formula |
C25H42O3 |
| InChI |
InChI=1S/C25H42O3/c1-3-5-7-9-16-23(26)21-14-13-15-22(20-21)24(17-10-8-6-4-2)28-25-18-11-12-19-27-25/h13-15,20,23-26H,3-12,16-19H2,1-2H3 |
| InChIKey |
QEFRIKIELWSUGW-UHFFFAOYSA-N |
| Molecular Weight |
390.608 g/mol |
| SMILES |
C(O)(CCCCCC)C1=CC=CC(=C1)C(CCCCCC)OC1OCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845518 |
![Benzene, 1-(1-hydroxyheptyl)-3-[1-(tetrahydropyran-2-yloxy)heptyl]-](/api/spectrum/7TyVDEJcLvE/structure.png?h=300&w=458 "Benzene, 1-(1-hydroxyheptyl)-3-[1-(tetrahydropyran-2-yloxy)heptyl]-")
