| SpectraBase Compound ID | BQePoTiXLb8 |
|---|---|
| InChI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2,4-5,8H,1,3,6-7H2/b5-4+ |
| InChIKey | JHKUFOOWUVOJDX-SNAWJCMRSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5zdbxS0xliD |
|---|---|
| Name | (3E)-1-hepta-3,6-dienol |
| Alternate Name(s) | (3E)-hepta-3,6-dien-1-ol |
| CAS Registry Number | 80502-28-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2,4-5,8H,1,3,6-7H2/b5-4+ |
| InChIKey | JHKUFOOWUVOJDX-SNAWJCMRSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | OCC\C=C\CC=C |
| SPLASH | splash10-004i-9000000000-b22c24314e6ae41594e9 |
| Source of Spectrum | J-53-4691-26 |
| Wiley ID | 1123490 |