| SpectraBase Compound ID | BdmSCm0A4XL |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-3-4-5-8(10)6-7-9(11)12-2/h1,6-8,10H,4-5H2,2H3/b7-6+ |
| InChIKey | LUMHYQVULCOLPF-VOTSOKGWSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 158XIDmamGX |
|---|---|
| Name | (E)-methyl 4-hydroxyoct-2-en-7-ynoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-3-4-5-8(10)6-7-9(11)12-2/h1,6-8,10H,4-5H2,2H3/b7-6+ |
| InChIKey | LUMHYQVULCOLPF-VOTSOKGWSA-N |
| Literature Reference DOI | 10.1021/jo300374v |
| Molecular Weight | 168.192 g/mol |
| SMILES | OC(CCC#C)\C=C\C(OC)=O |
| SPLASH | splash10-00kr-9600000000-549361a216e73cf479ca |
| Source of Spectrum | J-77-4167/SMS3-10 |
| Wiley ID | 1749762 |