| SpectraBase Compound ID | 2HNjyN03Xkn |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,6-8H,1,5H2,2H3 |
| InChIKey | SIYWFIPUQCEZII-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 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 | 7ITJWIR0g2i |
|---|---|
| Name | 1,5-Heptadien-4-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.088815005 u |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,6-8H,1,5H2,2H3 |
| InChIKey | SIYWFIPUQCEZII-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | OC(C=CC)CC=C |