| SpectraBase Compound ID | AtgG2nNRXXP |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-5-7-8-9-12(19)14-11-10-13(23-6-2)17(3,15(14)20)16(21)18(11,4)22/h5,7-9,11,13,16,19,21-22H,6,10H2,1-4H3/b7-5+,9-8+,14-12-/t11-,13+,16+,17+,18+/m1/s1 |
| InChIKey | KKYKYAWAXUYVNI-LLYXDSFZSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I2OaWYm7ikG |
|---|---|
| Name | Sorbivinetol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-5-7-8-9-12(19)14-11-10-13(23-6-2)17(3,15(14)20)16(21)18(11,4)22/h5,7-9,11,13,16,19,21-22H,6,10H2,1-4H3/b7-5+,9-8+,14-12-/t11-,13+,16+,17+,18+/m1/s1 |
| InChIKey | KKYKYAWAXUYVNI-LLYXDSFZSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | O\C(=C/1C([C@]2([C@@]([C@]([C@@]1(C[C@@]2(OCC)[H])[H])(O)C)(O)[H])C)=O)\C=C\C=C\C |
| SPLASH | splash10-0007-9100000000-bfaf62b05d8a00beff6d |
| Source of Spectrum | KC-61-7263-15 |
| Wiley ID | 1629948 |