| SpectraBase Compound ID | KBVO4815O9p |
|---|---|
| InChI | InChI=1S/C12H14BrNO/c1-8-6-11(13)7-10-4-3-5-14(9(2)15)12(8)10/h6-7H,3-5H2,1-2H3 |
| InChIKey | WDNMLXDDSFANOY-UHFFFAOYSA-N |
| Mol Weight | 268.15 g/mol |
| Molecular Formula | C12H14BrNO |
| Exact Mass | 267.025877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LK44qTJXSy9 |
|---|---|
| Name | 6-Bromo-8-methyl-1,2,3,4-tetrahydroquinoline, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.025877074 u |
| Formula | C12H14BrNO |
| InChI | InChI=1S/C12H14BrNO/c1-8-6-11(13)7-10-4-3-5-14(9(2)15)12(8)10/h6-7H,3-5H2,1-2H3 |
| InChIKey | WDNMLXDDSFANOY-UHFFFAOYSA-N |
| SMILES | CC1=C2C(=CC(=C1)Br)CCCN2C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921406 |