| SpectraBase Compound ID | HIkM6F1MvUF |
|---|---|
| InChI | InChI=1S/C15H22ClNO2/c1-11-5-6-13(16)14(7-11)18-9-12-8-17(10-19-12)15(2,3)4/h5-7,12H,8-10H2,1-4H3 |
| InChIKey | YJDQZKJTRQCMKG-UHFFFAOYSA-N |
| Mol Weight | 283.8 g/mol |
| Molecular Formula | C15H22ClNO2 |
| Exact Mass | 283.133907 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8zVIFvORrGj |
|---|---|
| Name | Bupranolol-A (CH2O,-H2O) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.133906650 u |
| Formula | C15H22ClNO2 |
| InChI | InChI=1S/C15H22ClNO2/c1-11-5-6-13(16)14(7-11)18-9-12-8-17(10-19-12)15(2,3)4/h5-7,12H,8-10H2,1-4H3 |
| InChIKey | YJDQZKJTRQCMKG-UHFFFAOYSA-N |
| SMILES | C(N1CC(OC1)COC=1C(=CC=C(C1)C)Cl)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935898 |