| SpectraBase Spectrum ID |
4aGrXPzjpg |
| Name |
7-[1,2-Bis(4-cyanophenyl)decahydro-1H-trans-cyclooctapyrazol-3-yl]heptanal |
| Alternate Name(s) |
4,4'-((3aS,9aS)-3-(7-oxoheptyl)octahydro-1H-cycloocta[c]pyrazole-1,2(3H)-diyl)dibenzonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H36N4O |
| InChI |
InChI=1S/C30H36N4O/c31-22-24-13-17-26(18-14-24)33-29(11-7-2-1-5-9-21-35)28-10-6-3-4-8-12-30(28)34(33)27-19-15-25(23-32)16-20-27/h13-21,28-30H,1-12H2/t28-,29?,30+/m1/s1 |
| InChIKey |
HNTWWMCCHKKWOR-MILORHPOSA-N |
| Literature Reference DOI |
10.1002/cber.19821150620 |
| Molecular Weight |
468.645 g/mol |
| SMILES |
C1C[C@]2([C@](CCCC1)(N(N(C2CCCCCCC=O)c1ccc(cc1)C#N)c1ccc(cc1)C#N)[H])[H] |
| SPLASH |
splash10-0gb9-2602900000-4d17d8bf2c16bfc6e224 |
| Source of Spectrum |
K-115-2251-13 |
| Wiley ID |
1791969 |
![7-[1,2-Bis(4-cyanophenyl)decahydro-1H-trans-cyclooctapyrazol-3-yl]heptanal](/api/spectrum/4aGrXPzjpg/structure.png?h=300&w=458 "7-[1,2-Bis(4-cyanophenyl)decahydro-1H-trans-cyclooctapyrazol-3-yl]heptanal")
