| SpectraBase Compound ID | 1jlmhNccGsb |
|---|---|
| InChI | InChI=1S/C15H14ClNO/c1-11(18)17-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3,(H,17,18) |
| InChIKey | DACZDACZDBBEEH-UHFFFAOYSA-N |
| Mol Weight | 259.74 g/mol |
| Molecular Formula | C15H14ClNO |
| Exact Mass | 259.076392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0BgAPX2fMn |
|---|---|
| Name | Cetirizine-m (amino-) ac P650 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.076391774 u |
| Formula | C15H14ClNO |
| InChI | InChI=1S/C15H14ClNO/c1-11(18)17-15(12-5-3-2-4-6-12)13-7-9-14(16)10-8-13/h2-10,15H,1H3,(H,17,18) |
| InChIKey | DACZDACZDBBEEH-UHFFFAOYSA-N |
| Molecular Weight | 259.736 g/mol |
| SMILES | C(NC(=O)C)(C1=CC=C(Cl)C=C1)C=1C=CC=CC1 |