| SpectraBase Compound ID | DN7X2rCLyGe |
|---|---|
| InChI | InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3 |
| InChIKey | LRXXRIXDSAEIOR-UHFFFAOYSA-N |
| Mol Weight | 259.78 g/mol |
| Molecular Formula | C16H18ClN |
| Exact Mass | 259.112777 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8nDmu0L0gak |
|---|---|
| Name | Clobenzorex in kbr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.112777284 u |
| Formula | C16H18ClN |
| InChI | InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3 |
| InChIKey | LRXXRIXDSAEIOR-UHFFFAOYSA-N |
| Molecular Weight | 259.780 g/mol |
| SMILES | N(CC1=C(C=CC=C1)Cl)C(C)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.968098 |