| SpectraBase Compound ID | 9bMvGNMRTua |
|---|---|
| InChI | InChI=1S/C11H12ClNO4/c12-8-2-1-3-11(14)17-10-6-4-9(5-7-10)13(15)16/h4-7H,1-3,8H2 |
| InChIKey | XBBBWKBYQVWSPV-UHFFFAOYSA-N |
| Mol Weight | 257.67 g/mol |
| Molecular Formula | C11H12ClNO4 |
| Exact Mass | 257.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0qLDdpiYq7 |
|---|---|
| Name | 5-Chlorovaleric acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.045485566 u |
| Formula | C11H12ClNO4 |
| InChI | InChI=1S/C11H12ClNO4/c12-8-2-1-3-11(14)17-10-6-4-9(5-7-10)13(15)16/h4-7H,1-3,8H2 |
| InChIKey | XBBBWKBYQVWSPV-UHFFFAOYSA-N |
| Molecular Weight | 257.673 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(CCCCCl)=O)N(=O)=O |