| SpectraBase Compound ID | zjCKcsFa7 |
|---|---|
| InChI | InChI=1S/C14H10ClNO5/c1-20-10-3-5-11(6-4-10)21-14(17)12-7-2-9(15)8-13(12)16(18)19/h2-8H,1H3 |
| InChIKey | POWWFFYSVIFCMG-UHFFFAOYSA-N |
| Mol Weight | 307.69 g/mol |
| Molecular Formula | C14H10ClNO5 |
| Exact Mass | 307.02475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HS2aL7MwRFv |
|---|---|
| Name | Benzoic acid, 4-chloro-2-nitro-, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.024750121 u |
| Formula | C14H10ClNO5 |
| InChI | InChI=1S/C14H10ClNO5/c1-20-10-3-5-11(6-4-10)21-14(17)12-7-2-9(15)8-13(12)16(18)19/h2-8H,1H3 |
| InChIKey | POWWFFYSVIFCMG-UHFFFAOYSA-N |
| Molecular Weight | 307.689 g/mol |
| SMILES | C1(=C(N(=O)=O)C=C(C=C1)Cl)C(OC1=CC=C(OC)C=C1)=O |