| SpectraBase Compound ID | CrelMxcWLSp |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-5-7(4-2)6-8/h8H,2-3,5-6H2,1H3 |
| InChIKey | BQCCYSGNJUTAGA-UHFFFAOYSA-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 | BRgf0QDy7bp |
|---|---|
| Name | 2-Propylbuta-2,3-dien-1-ol |
| Alternate Name(s) | 2-propyl-2,3-butadien-1-ol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-5-7(4-2)6-8/h8H,2-3,5-6H2,1H3 |
| InChIKey | BQCCYSGNJUTAGA-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | OCC(=C=C)CCC |
| SPLASH | splash10-0002-9000000000-b02fefb6b45ececb2964 |
| Source of Spectrum | J-67-2842-7 |
| Wiley ID | 1569633 |