| SpectraBase Compound ID | IUj3OVLhpqI |
|---|---|
| InChI | InChI=1S/C17H14ClNO4/c1-11(20)23-10-16(21)19-15-8-7-13(18)9-14(15)17(22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21) |
| InChIKey | QDDKCJVSVSHMQD-UHFFFAOYSA-N |
| Mol Weight | 331.76 g/mol |
| Molecular Formula | C17H14ClNO4 |
| Exact Mass | 331.061136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ttK2NF1rx9 |
|---|---|
| Name | Clorazepate-m ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.061135631 u |
| Formula | C17H14ClNO4 |
| InChI | InChI=1S/C17H14ClNO4/c1-11(20)23-10-16(21)19-15-8-7-13(18)9-14(15)17(22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21) |
| InChIKey | QDDKCJVSVSHMQD-UHFFFAOYSA-N |
| Molecular Weight | 331.755 g/mol |
| SMILES | C=1(C(NC(COC(=O)C)=O)=CC=C(C1)Cl)C(C1=CC=CC=C1)=O |