| SpectraBase Compound ID | E5Zf7p7lUlD |
|---|---|
| InChI | InChI=1S/C16H15ClN2O2S/c1-19-14(21)9-18-15(11-4-2-3-5-13(11)17)12-8-10(6-7-20)22-16(12)19/h2-5,8,20H,6-7,9H2,1H3 |
| InChIKey | KPGWVOKPRLMGFT-UHFFFAOYSA-N |
| Mol Weight | 334.82 g/mol |
| Molecular Formula | C16H15ClN2O2S |
| Exact Mass | 334.054277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E72A8BcRmCb |
|---|---|
| Name | Clotiazepam-m (ho-) P1118 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.054276603 u |
| Formula | C16H15ClN2O2S |
| InChI | InChI=1S/C16H15ClN2O2S/c1-19-14(21)9-18-15(11-4-2-3-5-13(11)17)12-8-10(6-7-20)22-16(12)19/h2-5,8,20H,6-7,9H2,1H3 |
| InChIKey | KPGWVOKPRLMGFT-UHFFFAOYSA-N |
| Molecular Weight | 334.821 g/mol |
| SMILES | C=1(C(=CC=CC1)Cl)C1=NCC(N(C2=C1C=C(CCO)S2)C)=O |