| SpectraBase Compound ID | EZRpfPW2se |
|---|---|
| InChI | InChI=1S/C11H12ClNO4/c1-7(2)11(14)17-6-8-3-4-9(12)5-10(8)13(15)16/h3-5,7H,6H2,1-2H3 |
| InChIKey | IWGSTUWYFVQOCI-UHFFFAOYSA-N |
| Mol Weight | 257.67 g/mol |
| Molecular Formula | C11H12ClNO4 |
| Exact Mass | 257.045486 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jn8wxnSROeC |
|---|---|
| Name | Isobutyric acid, 2-nitro-4-chlorobenzyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12ClNO4 |
| InChI | InChI=1S/C11H12ClNO4/c1-7(2)11(14)17-6-8-3-4-9(12)5-10(8)13(15)16/h3-5,7H,6H2,1-2H3 |
| InChIKey | IWGSTUWYFVQOCI-UHFFFAOYSA-N |
| Molecular Weight | 257.673 g/mol |
| SMILES | CC(C)C(OCc1ccc(cc1N(=O)=O)Cl)=O |
| SPLASH | splash10-0006-9310000000-8c08d603c6dd2c0328f7 |
| Source of Spectrum | TIPS-2023-33-0 |
| Wiley ID | 1884741 |