SpectraBase Compound ID | 5GvDH9Ev2MI |
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InChI | InChI=1S/C10H11Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2 |
InChIKey | IBMAISVTUOJFGF-UHFFFAOYSA-N |
Mol Weight | 211.1 g/mol |
Molecular Formula | C10H11Br |
Exact Mass | 210.004413 g/mol |
SpectraBase Spectrum ID | 4MoFeiqI1cu |
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Name | 2-Bromo-1,2,3,4-tetrahydronaphthalene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 210.004413354 u |
Formula | C10H11Br |
InChI | InChI=1S/C10H11Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2 |
InChIKey | IBMAISVTUOJFGF-UHFFFAOYSA-N |
Molecular Weight | 211.102 g/mol |
SMILES | C12=C(CCC(C2)Br)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892034 |