| SpectraBase Compound ID | Bqn4pQBK7fS |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-9(7-8-16-10(2)13)5-6-11(14)12(3,4)15/h7,11,14-15H,5-6,8H2,1-4H3/b9-7+ |
| InChIKey | XNWRUPFPKNGYTG-VQHVLOKHSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4GMCJ0RoUi |
|---|---|
| Name | (2E)-1-O-Acetyl-3,7-dimethyl-6,7-dihydroxy-2-octen-1-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-9(7-8-16-10(2)13)5-6-11(14)12(3,4)15/h7,11,14-15H,5-6,8H2,1-4H3/b9-7+ |
| InChIKey | XNWRUPFPKNGYTG-VQHVLOKHSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | OC(C(O)(C)C)CC\C(=C\COC(=O)C)C |
| SPLASH | splash10-0aou-9000000000-153d5d6c2806e994d6d7 |
| Source of Spectrum | F-50-13245-6 |
| Synonyms | 6,7-Dihydroxy-3,7-dimethyl-2-octenyl acetate (2E)-6,7-dihydroxy-3,7-dimethyl-2-octenyl acetate [(E)-6,7-Dihydroxy-3,7-dimethyl-2-octenyl]ester of acetic acid Acetic acid[(E)-6,7-dihydroxy-3,7-dimethyl-oct-2-enyl]ester [(E)-3,7-dimethyl-6,7-bis(oxidanyl)oct-2-enyl]ethanoate [(E)-6,7-dihydroxy-3,7-dimethyl-oct-2-enyl]acetate Acetic acid [(E)-6,7-dihydroxy-3,7-dimethyloct-2-enyl] ester [(E)-6,7-dihydroxy-3,7-dimethyloct-2-enyl] acetate [(E)-6,7-dihydroxy-3,7-dimethyl-oct-2-enyl] acetate [(E)-3,7-dimethyl-6,7-bis(oxidanyl)oct-2-enyl] ethanoate |
| Wiley ID | 790089 |