| SpectraBase Compound ID | 8jKtue75AOw |
|---|---|
| InChI | InChI=1S/C13H10ClNO2/c1-2-7-15-11-10(14)12(16)8-5-3-4-6-9(8)13(11)17/h2-6,15H,1,7H2 |
| InChIKey | PYIGZVBXHAUBPU-UHFFFAOYSA-N |
| Mol Weight | 247.68 g/mol |
| Molecular Formula | C13H10ClNO2 |
| Exact Mass | 247.040006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CANPUFvLSqN |
|---|---|
| Name | 1,4-Naphthalenedione, 2-chloro-3-(2-propenylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.040006264 u |
| Formula | C13H10ClNO2 |
| InChI | InChI=1S/C13H10ClNO2/c1-2-7-15-11-10(14)12(16)8-5-3-4-6-9(8)13(11)17/h2-6,15H,1,7H2 |
| InChIKey | PYIGZVBXHAUBPU-UHFFFAOYSA-N |
| Molecular Weight | 247.681 g/mol |
| SMILES | N(C1=C(C(=O)C2=C(C1=O)C=CC=C2)Cl)CC=C |