| SpectraBase Compound ID | BUyZMY7PXqH |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-4-23-18(21)15(3)10-8-9-14(2)17(20)13-24-19(22)16-11-6-5-7-12-16/h5-7,10-12,14,17,20H,4,8-9,13H2,1-3H3/b15-10+/t14-,17+/m0/s1 |
| InChIKey | FFMXJDHEAGQERU-FPZAFUISSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4CZBEBf14un |
|---|---|
| Name | Ethyl (2E,6S,7S)-8-Benzoyloxy-7-hydroxy-2,6-dimethyl-2-octenoate |
| Alternate Name(s) | (2S,3S,6E)-8-ethoxy-2-hydroxy-3,7-dimethyl-8-oxo-6-octenyl benzoate benzoic acid[(E,2S,3S)-8-ethoxy-2-hydroxy-3,7-dimethyl-8-oxooct-6-enyl]ester benzoic acid[(E,2S,3S)-8-ethoxy-2-hydroxy-8-keto-3,7-dimethyl-oct-6-enyl]ester [(E,2S,3S)-8-ethoxy-2-hydroxy-3,7-dimethyl-8-oxo-oct-6-enyl]benzoate [(E,2S,3S)-8-ethoxy-3,7-dimethyl-2-oxidanyl-8-oxidanylidene-oct-6-enyl]benzoate benzoic acid [(E,2S,3S)-8-ethoxy-2-hydroxy-3,7-dimethyl-8-oxooct-6-enyl] ester [(E,2S,3S)-8-ethoxy-2-hydroxy-3,7-dimethyl-8-oxooct-6-enyl] benzoate [(E,2S,3S)-8-ethoxy-2-hydroxy-3,7-dimethyl-8-oxo-oct-6-enyl] benzoate [(E,2S,3S)-8-ethoxy-3,7-dimethyl-2-oxidanyl-8-oxidanylidene-oct-6-enyl] benzoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-4-23-18(21)15(3)10-8-9-14(2)17(20)13-24-19(22)16-11-6-5-7-12-16/h5-7,10-12,14,17,20H,4,8-9,13H2,1-3H3/b15-10+/t14-,17+/m0/s1 |
| InChIKey | FFMXJDHEAGQERU-FPZAFUISSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | O[C@@]([C@](CC\C=C\(C(=O)OCC)C)(C)[H])(COC(c1ccccc1)=O)[H] |
| SPLASH | splash10-00lr-0009000000-52cfd20395d7f0f457c2 |
| Source of Spectrum | K1-0-906-10 |
| Wiley ID | 1588419 |