| SpectraBase Spectrum ID |
5bsuXCecjoi |
| Name |
Biphenyl-4-carboxylic acid, di(sec-butyl)amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.209264492 u |
| Formula |
C21H27NO |
| InChI |
InChI=1S/C21H27NO/c1-5-16(3)22(17(4)6-2)21(23)20-14-12-19(13-15-20)18-10-8-7-9-11-18/h7-17H,5-6H2,1-4H3 |
| InChIKey |
CQISCKNZIWUPIB-UHFFFAOYSA-N |
| Molecular Weight |
309.453 g/mol |
| SMILES |
C1=C(C=CC=C1)C1=CC=C(C=C1)C(N(C(CC)C)C(C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829766 |
