| SpectraBase Spectrum ID |
E966xkTGWhT |
| Name |
N-(2-Tert-butylphenyl)pyridine-3-carboximidic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.157563271 u |
| Formula |
C17H20N2O |
| InChI |
InChI=1S/C17H20N2O/c1-17(2,3)14-9-5-6-10-15(14)19-16(20-4)13-8-7-11-18-12-13/h5-12H,1-4H3/b19-16- |
| InChIKey |
FRJHREMDEAOABA-MNDPQUGUSA-N |
| Molecular Weight |
268.360 g/mol |
| SMILES |
C1(\N=C\(OC)C2=CN=CC=C2)=C(C=CC=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84508 |
