| SpectraBase Spectrum ID |
L65QHdfVT9z |
| Name |
4-Ethyl-1,2-dimethyl-2H-quinoline-3-carboxylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.188529047 u |
| Formula |
C18H25NO2 |
| InChI |
InChI=1S/C18H25NO2/c1-7-13-14-10-8-9-11-15(14)19(6)12(2)16(13)17(20)21-18(3,4)5/h8-12H,7H2,1-6H3 |
| InChIKey |
YLFNLKVVFQJJMN-UHFFFAOYSA-N |
| Molecular Weight |
287.403 g/mol |
| SMILES |
C1(=C(C=2C=CC=CC2N(C1C)C)CC)C(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854887 |
