| SpectraBase Spectrum ID |
1BA3dRRYmW |
| Name |
7-(4-bromophenyl)-7-(2-methoxyphenyl)-2,2-dimethylheptanenitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.119777460 u |
| Formula |
C22H26BrNO |
| InChI |
InChI=1S/C22H26BrNO/c1-22(2,16-24)15-7-6-8-19(17-11-13-18(23)14-12-17)20-9-4-5-10-21(20)25-3/h4-5,9-14,19H,6-8,15H2,1-3H3 |
| InChIKey |
AYGXODZHRVTZSP-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202101682 |
| Molecular Weight |
400.360 g/mol |
| Quality |
13 |
| Reported Formula |
C22H26BrNO |
| SMILES |
C=1(C(CCCCC(C#N)(C)C)C=2C(=CC=CC2)OC)C=CC(=CC1)Br |
| SPLASH |
splash10-00vi-0940000000-211c2d83669eb27988ef |
| Source of Spectrum |
ACI-60-SM35-6i (DOI: 10.1002/anie.202101682) |
| Wiley ID |
1891279 |
