| SpectraBase Spectrum ID |
23bQGwwfxJW |
| Name |
Pentacarbonyl{[2'-(<2'',4'',6''-tri-T-butylphenyl>ethynyl)phenylamino]-phenylcarbene}-chromium |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
641.223328355 u |
| Formula |
C38H39CrNO5 |
| InChI |
InChI=1S/C33H39N.5CO.Cr/c1-31(2,3)26-21-28(32(4,5)6)27(29(22-26)33(7,8)9)20-19-25-17-13-14-18-30(25)34-23-24-15-11-10-12-16-24;5*1-2;/h10-18,21-22,34H,1-9H3;;;;;; |
| InChIKey |
WIGMKCVZPQNTKH-UHFFFAOYSA-N |
| Molecular Weight |
641.728 g/mol |
| SMILES |
C(=[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(NC=1C(C#CC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)=CC=CC1)C1=CC=CC=C1 |
![Pentacarbonyl{[2'-(<2'',4'',6''-tri-T-butylphenyl>ethynyl)phenylamino]-phenylcarbene}-chromium](/api/spectrum/23bQGwwfxJW/structure.png?h=300&w=458 "Pentacarbonyl{[2'-(<2'',4'',6''-tri-T-butylphenyl>ethynyl)phenylamino]-phenylcarbene}-chromium")
