![(6'E)-1'-(Isocopal-12-en-15-yl)-8'-[(t-butyldiphenylsilyl)oxy]-6'-methyloct-2',6'-diene-2'-carbonitrile](/api/spectrum/I65MOf972bu/structure.png?h=300&w=458 "(6'E)-1'-(Isocopal-12-en-15-yl)-8'-[(t-butyldiphenylsilyl)oxy]-6'-methyloct-2',6'-diene-2'-carbonitrile")
| SpectraBase Compound ID | G6Xj48hDcna |
|---|---|
| InChI | InChI=1S/C46H65NOSi/c1-35(29-33-48-49(43(3,4)5,38-20-12-10-13-21-38)39-22-14-11-15-23-39)18-16-19-37(34-47)25-26-40-36(2)24-27-42-45(40,8)32-28-41-44(6,7)30-17-31-46(41,42)9/h10-15,19-24,29,40-42H,16-18,25-28,30-33H2,1-9H3/b35-29+,37-19-/t40-,41+,42+,45+,46+/m0/s1 |
| InChIKey | WPQOXWKGXUGOIW-XCXKDZCQSA-N |
| Mol Weight | 676.1 g/mol |
| Molecular Formula | C46H65NOSi |
| Exact Mass | 675.483542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I65MOf972bu |
|---|---|
| Name | (6'E)-1'-(Isocopal-12-en-15-yl)-8'-[(T-butyldiphenylsilyl)oxy]-6'-methyloct-2',6'-diene-2'-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 675.483542251 u |
| Formula | C46H65NOSi |
| InChI | InChI=1S/C46H65NOSi/c1-35(29-33-48-49(43(3,4)5,38-20-12-10-13-21-38)39-22-14-11-15-23-39)18-16-19-37(34-47)25-26-40-36(2)24-27-42-45(40,8)32-28-41-44(6,7)30-17-31-46(41,42)9/h10-15,19-24,29,40-42H,16-18,25-28,30-33H2,1-9H3/b35-29+,37-19-/t40-,41+,42+,45+,46+/m0/s1 |
| InChIKey | WPQOXWKGXUGOIW-XCXKDZCQSA-N |
| Molecular Weight | 676.117 g/mol |
| SMILES | [C@]12([C@]([C@]3([C@](C(CCC3)(C)C)([H])CC1)C)(CC=C([C@@]2(CC\C(C#N)=C\CC\C(=C\CO[Si](C(C)(C)C)(C1=CC=CC=C1)C=1C=CC=CC1)C)[H])C)[H])C |