| SpectraBase Compound ID | HOy1Z05esWO |
|---|---|
| InChI | InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18-/m1/s1 |
| InChIKey | NOQVBHHOUTTZGE-TZGXRXSYSA-N |
| Mol Weight | 349.38 g/mol |
| Molecular Formula | C18H23NO6 |
| Exact Mass | 349.152537 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DGrWISDtsp5 |
|---|---|
| Name | Erucifoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H23NO6 |
| InChI | InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18-/m1/s1 |
| InChIKey | NOQVBHHOUTTZGE-TZGXRXSYSA-N |
| Molecular Weight | 349.383 g/mol |
| SMILES | OC[C@@]12[C@@](O2)(C(OCC=2[C@@]3([C@@](CCN3CC2)(OC(\C(C1)=C/C)=O)[H])[H])=O)C |
| SPLASH | splash10-00rf-5900000000-8853529f8e652e972efc |
| Source of Spectrum | Y4-89-388-1 |
| Wiley ID | 1550356 |