![[PARA-(PARA-CYANOPHENYL)-PHENYL]-2-BETA-OCTYL-PERHYDRO-6-AZULENE-CARBOXYLATE](/api/spectrum/2aUJ9dp6ldy/structure.png?h=300&w=458 "[PARA-(PARA-CYANOPHENYL)-PHENYL]-2-BETA-OCTYL-PERHYDRO-6-AZULENE-CARBOXYLATE")
| SpectraBase Compound ID | AgTbW2E77co |
|---|---|
| InChI | InChI=1S/C32H41NO2/c1-2-3-4-5-6-7-8-25-21-29-15-13-28(14-16-30(29)22-25)32(34)35-31-19-17-27(18-20-31)26-11-9-24(23-33)10-12-26/h9-12,17-20,25,28-30H,2-8,13-16,21-22H2,1H3/t25-,28-,29?,30? |
| InChIKey | DWRYKHKZNNRAAL-LYTWZKEOSA-N |
| Mol Weight | 471.7 g/mol |
| Molecular Formula | C32H41NO2 |
| Exact Mass | 471.31373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2aUJ9dp6ldy |
|---|---|
| Name | trans-4'-cyanobiphenyl-4-yl 2-octyldecahydroazulene-6-carboxylate |
| Appearance | Colorless solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H41NO2 |
| InChI | InChI=1S/C32H41NO2/c1-2-3-4-5-6-7-8-25-21-29-15-13-28(14-16-30(29)22-25)32(34)35-31-19-17-27(18-20-31)26-11-9-24(23-33)10-12-26/h9-12,17-20,25,28-30H,2-8,13-16,21-22H2,1H3/t25-,28-,29?,30? |
| InChIKey | DWRYKHKZNNRAAL-LYTWZKEOSA-N |
| Instrument Name | Finnigan MAT 8430 |
| Ionization Type | EI |
| Literature Reference DOI | 10.3762/bjoc.8.44 |
| Molecular Weight | 471.685 g/mol |
| Reported Formula | C32H41NO2 |
| SMILES | C1[C@](CC2CC[C@@](CCC12)(C(=O)Oc1ccc(cc1)-c1ccc(cc1)C#N)[H])(CCCCCCCC)[H] |
| SPLASH | splash10-002b-6790000000-6738fa25bb7fa1b9382e |
| Source of Spectrum | BJO-8-410-10b |
| Wiley ID | 1867361 |