SpectraBase Compound ID | 27ysNGisC16 |
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InChI | InChI=1S/C9H12Br2/c10-9(11)7-5-3-1-2-4-6-8(7)9/h3,5,7-8H,1-2,4,6H2 |
InChIKey | SNDYDXJCUVOMRX-UHFFFAOYSA-N |
Mol Weight | 280.0 g/mol |
Molecular Formula | C9H12Br2 |
Exact Mass | 277.930576 g/mol |
SpectraBase Spectrum ID | LkyJxombJhH |
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Name | 9,9-Dibromobicyclo[6,1,0]non-2-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 277.930576386 u |
Formula | C9H12Br2 |
InChI | InChI=1S/C9H12Br2/c10-9(11)7-5-3-1-2-4-6-8(7)9/h3,5,7-8H,1-2,4,6H2 |
InChIKey | SNDYDXJCUVOMRX-UHFFFAOYSA-N |
SMILES | C12C(C2(Br)Br)C=CCCCC1 |
Spectrum/Structure Validation Score (Raman) | 0.828757 |