SpectraBase Compound ID | JGVDNxoi0Z2 |
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InChI | InChI=1S/C9H9Br/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2 |
InChIKey | BVMGTUJYIOYCBX-UHFFFAOYSA-N |
Mol Weight | 197.07 g/mol |
Molecular Formula | C9H9Br |
Exact Mass | 195.988763 g/mol |
SpectraBase Spectrum ID | FtUAyKZOWbL |
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Name | 1-Bromo-2,3-dihydro-1H-indene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 195.988763290 u |
Formula | C9H9Br |
InChI | InChI=1S/C9H9Br/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2 |
InChIKey | BVMGTUJYIOYCBX-UHFFFAOYSA-N |
Molecular Weight | 197.075 g/mol |
SMILES | C12=C(CCC2Br)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989257 |