| SpectraBase Spectrum ID |
Ja1QaZmvmTg |
| Name |
1',3'-Diaminibenzo[b]-5.alpha.-cholestan-2',4'-dicarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H48N4 |
| InChI |
InChI=1S/C33H48N4/c1-19(2)7-6-8-20(3)27-11-12-28-22-10-9-21-15-23-24(30(36)26(18-35)31(37)25(23)17-34)16-33(21,5)29(22)13-14-32(27,28)4/h19-22,27-29H,6-16,36-37H2,1-5H3/t20-,21?,22+,27-,28+,29+,32-,33+/m1/s1 |
| InChIKey |
KWNIXAKVGQJYDN-WJDVABOBSA-N |
| Molecular Weight |
500.775 g/mol |
| SMILES |
Nc1c(c2CC3CC[C@@]4([C@@]([C@]3(Cc2c(c1C#N)N)C)(CC[C@@]1([C@](CC[C@@]41[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])C#N |
| SPLASH |
splash10-0f79-0009040000-9e7b76db15663a644aad |
| Source of Spectrum |
D8-337-146-22 |
| Wiley ID |
1551196 |
![1',3'-Diaminibenzo[b]-5.alpha.-cholestan-2',4'-dicarbonitrile](/api/spectrum/Ja1QaZmvmTg/structure.png?h=300&w=458 "1',3'-Diaminibenzo[b]-5.alpha.-cholestan-2',4'-dicarbonitrile")
