![(3S*,3aR*,7aS*)-3-[3-Fluoro-4-(methoxymethoxy)benzyl]-7-methyleneoctahydro-4H-inden-4-one](/api/spectrum/APo65Vy7mfc/structure.png?h=300&w=458 "(3S*,3aR*,7aS*)-3-[3-Fluoro-4-(methoxymethoxy)benzyl]-7-methyleneoctahydro-4H-inden-4-one")
| SpectraBase Compound ID | GsKMCtXMDBn |
|---|---|
| InChI | InChI=1S/C19H23FO3/c1-12-3-7-17(21)19-14(5-6-15(12)19)9-13-4-8-18(16(20)10-13)23-11-22-2/h4,8,10,14-15,19H,1,3,5-7,9,11H2,2H3/t14-,15+,19+/m0/s1 |
| InChIKey | FBHNCEPTVQYDRP-QMTMVMCOSA-N |
| Mol Weight | 318.39 g/mol |
| Molecular Formula | C19H23FO3 |
| Exact Mass | 318.163123 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | APo65Vy7mfc |
|---|---|
| Name | (3S*,3aR*,7aS*)-3-[3-Fluoro-4-(methoxymethoxy)benzyl]-7-methyleneoctahydro-4H-inden-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H23FO3 |
| InChI | InChI=1S/C19H23FO3/c1-12-3-7-17(21)19-14(5-6-15(12)19)9-13-4-8-18(16(20)10-13)23-11-22-2/h4,8,10,14-15,19H,1,3,5-7,9,11H2,2H3/t14-,15+,19+/m0/s1 |
| InChIKey | FBHNCEPTVQYDRP-QMTMVMCOSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/ml300283f |
| Molecular Weight | 318.388 g/mol |
| Reported Formula | C19H23FO3 |
| SMILES | [C@@]1(CC[C@]2([C@@]1(C(CCC2=C)=O)[H])[H])(Cc1cc(c(cc1)OCOC)F)[H] |
| SPLASH | splash10-066s-1904000000-127fb28d7dda43ac51df |
| Source of Spectrum | MCS-3-SM13-9c |
| Wiley ID | 1864129 |