| SpectraBase Compound ID | K9Opume8kVB |
|---|---|
| InChI | InChI=1S/C14H20O3/c15-9-5-3-1-2-4-6-12-7-8-13-14(10-12)17-11-16-13/h7-8,10,15H,1-6,9,11H2 |
| InChIKey | KHZGISGHSASISA-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6rOwY88ozRb |
|---|---|
| Name | 7-(1,3-Benzodioxol-5-yl)-1-heptanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c15-9-5-3-1-2-4-6-12-7-8-13-14(10-12)17-11-16-13/h7-8,10,15H,1-6,9,11H2 |
| InChIKey | KHZGISGHSASISA-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C12=C(OCO2)C=CC(=C1)CCCCCCCO |