SpectraBase Compound ID | 2V3FyljR2Az |
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InChI | InChI=1S/C8H6O2/c9-7-5-3-1-2-4-6(5)8(7)10/h1-4,7,9H/t7-/m1/s1 |
InChIKey | VGUOVMFDOAHFQU-SSDOTTSWSA-N |
Mol Weight | 134.13 g/mol |
Molecular Formula | C8H6O2 |
Exact Mass | 134.036779 g/mol |
SpectraBase Spectrum ID | DexKa39POAH |
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Name | (8R)-8-Hydroxy-7-bicyclo[4.2.0]octa-1,3,5-trienone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 134.036779431 u |
Formula | C8H6O2 |
InChI | InChI=1S/C8H6O2/c9-7-5-3-1-2-4-6(5)8(7)10/h1-4,7,9H/t7-/m1/s1 |
InChIKey | VGUOVMFDOAHFQU-SSDOTTSWSA-N |
SMILES | C1(C2=CC=CC=C2[C@]1(O)[H])=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944363 |