![(3S*,3aR*,4S*,7aS*)-3-[3-Fluoro-4-(methoxymethoxy)benzyl]-7-methyleneoctahydro-1H-inden-4-yl acetate](/api/spectrum/LvaOn4pNtAL/structure.png?h=300&w=458 "(3S*,3aR*,4S*,7aS*)-3-[3-Fluoro-4-(methoxymethoxy)benzyl]-7-methyleneoctahydro-1H-inden-4-yl acetate")
| SpectraBase Compound ID | IpeCeNrT0F3 |
|---|---|
| InChI | InChI=1S/C21H27FO4/c1-13-4-8-20(26-14(2)23)21-16(6-7-17(13)21)10-15-5-9-19(18(22)11-15)25-12-24-3/h5,9,11,16-17,20-21H,1,4,6-8,10,12H2,2-3H3/t16-,17+,20-,21+/m0/s1 |
| InChIKey | GKNYTDFYCYNDRP-KJNZLNQQSA-N |
| Mol Weight | 362.44 g/mol |
| Molecular Formula | C21H27FO4 |
| Exact Mass | 362.189338 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LvaOn4pNtAL |
|---|---|
| Name | (3S*,3aR*,4S*,7aS*)-3-[3-Fluoro-4-(methoxymethoxy)benzyl]-7-methyleneoctahydro-1H-inden-4-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27FO4 |
| InChI | InChI=1S/C21H27FO4/c1-13-4-8-20(26-14(2)23)21-16(6-7-17(13)21)10-15-5-9-19(18(22)11-15)25-12-24-3/h5,9,11,16-17,20-21H,1,4,6-8,10,12H2,2-3H3/t16-,17+,20-,21+/m0/s1 |
| InChIKey | GKNYTDFYCYNDRP-KJNZLNQQSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/ml300283f |
| Molecular Weight | 362.441 g/mol |
| Reported Formula | C21H27FO4 |
| SMILES | [C@@]1(CC[C@]2([C@@]1([C@](CCC2=C)(OC(C)=O)[H])[H])[H])(Cc1ccc(c(c1)F)OCOC)[H] |
| SPLASH | splash10-001i-1901000000-d626684604caded0fc1c |
| Source of Spectrum | MCS-3-SM10-8c |
| Wiley ID | 1864124 |