| SpectraBase Spectrum ID |
30pibdFHHjD |
| Name |
4-[2-(Diisopropylamino)-2-keto-acetyl]benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.147058156 u |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-10(2)17(11(3)4)15(19)14(18)12-6-8-13(9-7-12)16(20)21-5/h6-11H,1-5H3 |
| InChIKey |
BHWPWJILOCOGPF-UHFFFAOYSA-N |
| SMILES |
C(C(C1=CC=C(C(=O)OC)C=C1)=O)(N(C(C)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823127 |
![4-[2-(Diisopropylamino)-2-keto-acetyl]benzoic acid methyl ester](/api/spectrum/30pibdFHHjD/structure.png?h=300&w=458 "4-[2-(Diisopropylamino)-2-keto-acetyl]benzoic acid methyl ester")
