| SpectraBase Spectrum ID |
Bwft6VugFl0 |
| Name |
7-(3,4-Dimethoxyphenyl)heptanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.172544630 u |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c1-17-14-10-9-13(12-15(14)18-2)8-6-4-3-5-7-11-16/h9-10,12,16H,3-8,11H2,1-2H3 |
| InChIKey |
SDFUKGGOMAEKPF-UHFFFAOYSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
C(CCCCCCC=1C=C(C(=CC1)OC)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943486 |
