| SpectraBase Compound ID | 1YP5eUvIxss |
|---|---|
| InChI | InChI=1S/C16H26O3/c1-2-3-4-5-7-14(18)16-11-10-12-13(17)8-6-9-15(12)19-16/h14,16,18H,2-11H2,1H3/t14-,16-/m0/s1 |
| InChIKey | JOBYEAFXXMAMPL-HOCLYGCPSA-N |
| Mol Weight | 266.38 g/mol |
| Molecular Formula | C16H26O3 |
| Exact Mass | 266.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FImmdqQxLm2 |
|---|---|
| Name | (2S)-2-(1(S)-Hydroxyheptyl)octahydrobenzopyran-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H26O3 |
| InChI | InChI=1S/C16H26O3/c1-2-3-4-5-7-14(18)16-11-10-12-13(17)8-6-9-15(12)19-16/h14,16,18H,2-11H2,1H3/t14-,16-/m0/s1 |
| InChIKey | JOBYEAFXXMAMPL-HOCLYGCPSA-N |
| Molecular Weight | 266.381 g/mol |
| SMILES | O[C@]([C@@]1(CCC2=C(O1)CCCC2=O)[H])(CCCCCC)[H] |
| SPLASH | splash10-014i-0190000000-14de893c622a82c79b40 |
| Source of Spectrum | SO-0-126-27 |
| Synonyms | (2S)-2-(1(S)-Hydroxyheptyl)-2,3,4,6,7,8-hexahydro-benzopyran-5-one (2S)-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-5H-chromen-5-one 2-(1-Hydroxyheptyl)-2,3,4,6,7,8-hexahydro-benzopyran-5-one 2-(1-Hydroxyheptyl)octahydrobenzopyran-5-one (2S)-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one (2S)-2-[(1S)-1-oxidanylheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one |
| Wiley ID | 864037 |