SpectraBase Compound ID | DLcXD5wGfK9 |
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InChI | InChI=1S/C7H9BrO2/c8-7-4-2-5(9)3(4)1-6(7)10/h3-4,6-7,10H,1-2H2/t3-,4-,6+,7+/m1/s1 InChI=1S/C7H9BrO2/c8-7-4-2-5(9)3(4)1-6(7)10/h3-4,6-7,10H,1-2H2/t3-,4-,6+,7+/m0/s1 |
InChIKey | PZDPQFNHGDOCGG-SOWDYBQPSA-N |
Mol Weight | 205.05 g/mol |
Molecular Formula | C7H9BrO2 |
Exact Mass | 203.978593 g/mol |
SpectraBase Spectrum ID | 7kvVFQ84o4M |
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Name | 2-exo-Bromo-3-endo-hydroxybicyclo[3.2.0]heptan-6-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 203.978592528 u |
Formula | C7H9BrO2 |
InChI | InChI=1S/C7H9BrO2/c8-7-4-2-5(9)3(4)1-6(7)10/h3-4,6-7,10H,1-2H2/t3-,4-,6+,7+/m1/s1 |
InChIKey | PZDPQFNHGDOCGG-SOWDYBQPSA-N |
SMILES | O[C@]1(C[C@@]2([C@]([C@@]1(Br)[H])(CC2=O)[H])[H])[H] |
Spectrum/Structure Validation Score (Raman) | 0.85429 |