| SpectraBase Compound ID | bPuVcHc8yq |
|---|---|
| InChI | InChI=1S/C16H15Br/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h7-9H,1-6H2 |
| InChIKey | SIJTUAANVIVBQW-UHFFFAOYSA-N |
| Mol Weight | 287.2 g/mol |
| Molecular Formula | C16H15Br |
| Exact Mass | 286.035713 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HAnqXmxft7W |
|---|---|
| Name | Pyrene, 1,2,3,6,7,8-hexahydro-4-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.035713483 u |
| Formula | C16H15Br |
| InChI | InChI=1S/C16H15Br/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h7-9H,1-6H2 |
| InChIKey | SIJTUAANVIVBQW-UHFFFAOYSA-N |
| SMILES | C1=C2CCCC3=C2C2=C(C=C3Br)CCCC2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96691 |