![ALL-TRANS-[U-(13)C(15)]-3-METHYL-5-(2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-PENTA-2,4-DIENENITRILE](/api/spectrum/2IX7YiAmz8k/structure.png?h=300&w=458 "ALL-TRANS-[U-(13)C(15)]-3-METHYL-5-(2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-PENTA-2,4-DIENENITRILE")
| SpectraBase Compound ID | H9ejs79Bi1 |
|---|---|
| InChI | InChI=1S/C15H21N/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9H,5-6,10H2,1-4H3/b8-7+,12-9+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1 |
| InChIKey | YOYODHNOTKUUDY-AWEVIDIMSA-N |
| Mol Weight | 230.23 g/mol |
| Molecular Formula | 13C15H21N |
| Exact Mass | 230.217722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2IX7YiAmz8k |
|---|---|
| Name | ALL-TRANS-[U-(13)C(15)]-3-METHYL-5-(2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-PENTA-2,4-DIENENITRILE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | 13C15H21N |
| InChI | InChI=1S/C15H21N/c1-12(9-11-16)7-8-14-13(2)6-5-10-15(14,3)4/h7-9H,5-6,10H2,1-4H3/b8-7+,12-9+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1 |
| InChIKey | YOYODHNOTKUUDY-AWEVIDIMSA-N |
| Literature Reference Author | A.F.L.CREEMERS,J.LUGTENBURG |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,6324(2002) |
| Literature Reference DOI | 10.1021/ja012368h |
| Molecular Weight | 230.224 g/mol |
| Sample ID | 50434 |
| Solvent | CDCl3 |