| SpectraBase Spectrum ID |
75kDIlwd1U |
| Name |
2-Ethylbutyric acid, 2-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.100107963 u |
| Formula |
C12H15NO4 |
| InChI |
InChI=1S/C12H15NO4/c1-3-9(4-2)12(14)17-11-8-6-5-7-10(11)13(15)16/h5-9H,3-4H2,1-2H3 |
| InChIKey |
UCLLPEPMLBPFEX-UHFFFAOYSA-N |
| Molecular Weight |
237.255 g/mol |
| SMILES |
C1=CC=C(C(=C1)N(=O)=O)OC(=O)C(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84674 |
