| SpectraBase Spectrum ID |
8wsQ4fopEwA |
| Name |
Benzoic acid, 3-[(2,2-dimethyl-1-oxobutyl)amino]-5-(3-methylbutyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.214743795 u |
| Formula |
C19H29NO3 |
| InChI |
InChI=1S/C19H29NO3/c1-7-19(4,5)18(22)20-16-11-14(9-8-13(2)3)10-15(12-16)17(21)23-6/h10-13H,7-9H2,1-6H3,(H,20,22) |
| InChIKey |
UEDYNURRYWAWOG-UHFFFAOYSA-N |
| Molecular Weight |
319.445 g/mol |
| SMILES |
C(NC1=CC(C(OC)=O)=CC(=C1)CCC(C)C)(C(CC)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887023 |
![Benzoic acid, 3-[(2,2-dimethyl-1-oxobutyl)amino]-5-(3-methylbutyl)-, methyl ester](/api/spectrum/8wsQ4fopEwA/structure.png?h=300&w=458 "Benzoic acid, 3-[(2,2-dimethyl-1-oxobutyl)amino]-5-(3-methylbutyl)-, methyl ester")
