| SpectraBase Spectrum ID |
EGafHf8ZPgc |
| Name |
3-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-6-[(E)-2-[4-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-5,5,6,6-tetracyano-cyclohex-2-en-1-yl]vinyl]cyclohex-4-ene-1,1,2,2-tetracarbonitrile |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H52N8 |
| InChI |
InChI=1S/C46H52N8/c1-39(2,3)37(40(4,5)6)17-13-15-33-19-21-35(45(29-51,30-52)43(33,25-47)26-48)23-24-36-22-20-34(44(27-49,28-50)46(36,31-53)32-54)16-14-18-38(41(7,8)9)42(10,11)12/h13-24,33-36H,1-12H3/b15-13+,16-14+,24-23+ |
| InChIKey |
OFWXZARECXUYDJ-KYNYWMMKSA-N |
| Instrument Name |
FINNIGAN MAT 90x |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.11.139 |
| Molecular Weight |
716.978 g/mol |
| Reported Formula |
C46H52N8 |
| SMILES |
C1(C(C=CC(C1(C#N)C#N)\C=C\C=C(C(C)(C)C)C(C)(C)C)\C=C\C1C(C(C(C=C1)\C=C\C=C(C(C)(C)C)C(C)(C)C)(C#N)C#N)(C#N)C#N)(C#N)C#N |
| SPLASH |
splash10-0a6r-8401940000-2a44445c9e5c0eb6b16c |
| Source of Spectrum |
BJO-11-SM25-48 |
| Wiley ID |
1851515 |
![3-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-6-[(E)-2-[4-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-5,5,6,6-tetracyano-cyclohex-2-en-1-yl]vinyl]cyclohex-4-ene-1,1,2,2-tetracarbonitrile](/api/spectrum/EGafHf8ZPgc/structure.png?h=300&w=458 "3-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-6-[(E)-2-[4-[(1E)-4-tert-butyl-5,5-dimethyl-hexa-1,3-dienyl]-5,5,6,6-tetracyano-cyclohex-2-en-1-yl]vinyl]cyclohex-4-ene-1,1,2,2-tetracarbonitrile")
