| SpectraBase Compound ID | 8Zvs8bV0ykm |
|---|---|
| InChI | InChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h6,8H,3-5H2,1-2H3 |
| InChIKey | XECQOLIOBNMTQA-UHFFFAOYSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BhcoYjQv3je |
|---|---|
| Name | 1-Pentanol, 4-methyl-3-methylene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.104465070 u |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h6,8H,3-5H2,1-2H3 |
| InChIKey | XECQOLIOBNMTQA-UHFFFAOYSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | C(=C)(C(C)C)CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923631 |