| SpectraBase Compound ID | DsSeCRbxhEx |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-8(5-7-10)4-2-3-6-9/h9-10H,1,3,5-7H2 |
| InChIKey | BAQQWUALJACUHU-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3nKl0hS0sIx |
|---|---|
| Name | 5-Methylenehept-3-yn-1,7-diol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-8(5-7-10)4-2-3-6-9/h9-10H,1,3,5-7H2 |
| InChIKey | BAQQWUALJACUHU-UHFFFAOYSA-N |
| Molecular Weight | 140.182 g/mol |
| SMILES | OCCC(C#CCCO)=C |
| SPLASH | splash10-0006-9000000000-57b10e76af653fd2e7aa |
| Source of Spectrum | F-62-118-27 |
| Synonyms | 5-methylene-3-heptyne-1,7-diol |
| Wiley ID | 1631778 |