| SpectraBase Compound ID | LNysROBG55e |
|---|---|
| InChI | InChI=1S/C19H18ClNO3/c1-12(22)24-16-7-4-14(5-8-16)19(23)17-10-15(20)6-9-18(17)21-11-13-2-3-13/h4-10,13,21H,2-3,11H2,1H3 |
| InChIKey | PFOSYORDMRJPDQ-UHFFFAOYSA-N |
| Mol Weight | 343.81 g/mol |
| Molecular Formula | C19H18ClNO3 |
| Exact Mass | 343.097521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5qZDrMczyEr |
|---|---|
| Name | Prazepam-m (ho-) hyac P1173 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.097521141 u |
| Formula | C19H18ClNO3 |
| InChI | InChI=1S/C19H18ClNO3/c1-12(22)24-16-7-4-14(5-8-16)19(23)17-10-15(20)6-9-18(17)21-11-13-2-3-13/h4-10,13,21H,2-3,11H2,1H3 |
| InChIKey | PFOSYORDMRJPDQ-UHFFFAOYSA-N |
| Molecular Weight | 343.810 g/mol |
| SMILES | C1(CC1)CNC1=C(C(C=2C=CC(=CC2)OC(C)=O)=O)C=C(C=C1)Cl |