| SpectraBase Compound ID | 3KaLPfpWgZP |
|---|---|
| InChI | InChI=1S/C20H26O6/c1-6-25-20(22)13-9-12(10(2)3)16-17-14(24-5)7-11(23-4)8-15(17)26-19(16)18(13)21/h7-8,10,12,16,19,21H,6,9H2,1-5H3/t12-,16+,19-/m1/s1 |
| InChIKey | QVSCNGUPACEFPG-RNRVQEDPSA-N |
| Mol Weight | 362.42 g/mol |
| Molecular Formula | C20H26O6 |
| Exact Mass | 362.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ItwfUz2I3oz |
|---|---|
| Name | Ethyl rac-(1R,4aR,9bS)-4-Hydroxy-7,9-dimethoxy-1-(1-methylethyl)-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate |
| Alternate Name(s) | ethyl (1R,4aR,9bS)-4-hydroxy-1-isopropyl-7,9-dimethoxy-1,2,4a,9b-tetrahydrodibenzo[b,d]furan-3-carboxylate (1R,4aR,9bS)-4-hydroxy-7,9-dimethoxy-1-propan-2-yl-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylic acid ethyl ester ethyl (1R,4aR,9bS)-4-hydroxy-7,9-dimethoxy-1-propan-2-yl-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate ethyl (1R,4aR,9bS)-4-hydroxy-1-isopropyl-7,9-dimethoxy-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate ethyl (1R,4aR,9bS)-7,9-dimethoxy-4-oxidanyl-1-propan-2-yl-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O6 |
| InChI | InChI=1S/C20H26O6/c1-6-25-20(22)13-9-12(10(2)3)16-17-14(24-5)7-11(23-4)8-15(17)26-19(16)18(13)21/h7-8,10,12,16,19,21H,6,9H2,1-5H3/t12-,16+,19-/m1/s1 |
| InChIKey | QVSCNGUPACEFPG-RNRVQEDPSA-N |
| Molecular Weight | 362.422 g/mol |
| SMILES | OC=1[C@@]2(Oc3cc(OC)cc(c3[C@@]2([C@](CC1C(=O)OCC)(C(C)C)[H])[H])OC)[H] |
| SPLASH | splash10-0udi-0902000000-2c958cf1d25b9c253e99 |
| Source of Spectrum | F-68-1221-11 |
| Wiley ID | 1571815 |