| SpectraBase Compound ID | 4tr3elGTdqy |
|---|---|
| InChI | InChI=1S/C16H24O4/c1-9-6-11(18)13-12(10(9)7-17)16(4,14(19)20-5)8-15(13,2)3/h7,9,11,13,18H,6,8H2,1-5H3/t9-,11+,13-,16+/m1/s1 |
| InChIKey | CIWANMKRQBXGMX-NGMYAQNXSA-N |
| Mol Weight | 280.36 g/mol |
| Molecular Formula | C16H24O4 |
| Exact Mass | 280.167459 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7fBbcnOMR7r |
|---|---|
| Name | Methyl botryenaloate |
| Appearance | oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H24O4 |
| InChI | InChI=1S/C16H24O4/c1-9-6-11(18)13-12(10(9)7-17)16(4,14(19)20-5)8-15(13,2)3/h7,9,11,13,18H,6,8H2,1-5H3/t9-,11+,13-,16+/m1/s1 |
| InChIKey | CIWANMKRQBXGMX-NGMYAQNXSA-N |
| Instrument Name | GC-MS Thermoquest |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020392i |
| Molecular Weight | 280.364 g/mol |
| Optical Rotation | [a]D26 = +104 (c = 2.4, CHCl3) |
| SMILES | O[C@@]1([C@@]2(C(=C([C@@](C1)(C)[H])C=O)[C@@](CC2(C)C)(C)C(=O)OC)[H])[H] |
| SPLASH | splash10-004i-0930000000-26d5d4097453d070a50d |
| Source of Spectrum | G4-66-347-18 |
| Wiley ID | 1881261 |