![(S)-6-Methoxy-2,5-dimethyl-7-octyl-7,8,9,9a-tetrahydroisoquinolino[1,8-de][1,3]-dioxaboraine](/api/spectrum/Kfsa9T2GXh8/structure.png?h=300&w=458 "(S)-6-Methoxy-2,5-dimethyl-7-octyl-7,8,9,9a-tetrahydroisoquinolino[1,8-de][1,3]-dioxaboraine")
| SpectraBase Compound ID | 3UrA4AQHNfZ |
|---|---|
| InChI | InChI=1S/C20H32BNO3/c1-5-6-7-8-9-10-11-15-12-13-16-18-17(15)19(23-4)14(2)22-20(18)25-21(3)24-16/h15-16H,5-13H2,1-4H3/t15-,16?/m0/s1 |
| InChIKey | VIRFJCYSBBOIAN-VYRBHSGPSA-N |
| Mol Weight | 345.3 g/mol |
| Molecular Formula | C20H32BNO3 |
| Exact Mass | 345.247524 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kfsa9T2GXh8 |
|---|---|
| Name | (S)-6-Methoxy-2,5-dimethyl-7-octyl-7,8,9,9a-tetrahydroisoquinolino[1,8-de][1,3]-dioxaboraine |
| Alternate Name(s) | (7S)-2,5-dimethyl-7-octyl-7,8,9,9a-tetrahydro[1,3,2]dioxaborino[4,5,6-ij]isoquinolin-6-yl methyl ether (7S)-6-methoxy-2,5-dimethyl-7-octyl-7,8,9,9a-tetrahydro[1,3,2]dioxaborino[4,5,6-ij]isoquinoline 6-Methoxy-2,5-dimethyl-7-octyl-7,8,9,9a-tetrahydroisoquinolino[1,8-de][1,3]-dioxaboraine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32BNO3 |
| InChI | InChI=1S/C20H32BNO3/c1-5-6-7-8-9-10-11-15-12-13-16-18-17(15)19(23-4)14(2)22-20(18)25-21(3)24-16/h15-16H,5-13H2,1-4H3/t15-,16?/m0/s1 |
| InChIKey | VIRFJCYSBBOIAN-VYRBHSGPSA-N |
| Molecular Weight | 345.290 g/mol |
| SMILES | c12c3c([C@@](CCCCCCCC)(CCC3OB(O1)C)[H])c(c(n2)C)OC |
| SPLASH | splash10-001j-0094000000-b7ab21e4617309e76451 |
| Source of Spectrum | F-55-1084-2 |
| Wiley ID | 836541 |