| SpectraBase Compound ID | EOK1QUTB5pe |
|---|---|
| InChI | InChI=1S/C12H12ClNO3/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)/b6-5- |
| InChIKey | ASNQTQOSQYVBIA-WAYWQWQTSA-N |
| Mol Weight | 253.69 g/mol |
| Molecular Formula | C12H12ClNO3 |
| Exact Mass | 253.050571 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kh7EiJfa5EF |
|---|---|
| Name | N-(p-Chlorophenethyl)maleamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.050570947 u |
| Formula | C12H12ClNO3 |
| InChI | InChI=1S/C12H12ClNO3/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)/b6-5- |
| InChIKey | ASNQTQOSQYVBIA-WAYWQWQTSA-N |
| SMILES | N(C(\C=C/C(=O)O)=O)CCC=1C=CC(Cl)=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.967201 |