SpectraBase Compound ID | DdQ4tIr8BbD |
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InChI | InChI=1S/C8H7FO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1 |
InChIKey | YZPBMJZGHIBDAM-MRVPVSSYSA-N |
Mol Weight | 138.14 g/mol |
Molecular Formula | C8H7FO |
Exact Mass | 138.048093 g/mol |
SpectraBase Spectrum ID | IJKNAwp5UmI |
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Name | (S)-2-Fluorostyrene oxide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 138.048093007 u |
Formula | C8H7FO |
InChI | InChI=1S/C8H7FO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1 |
InChIKey | YZPBMJZGHIBDAM-MRVPVSSYSA-N |
Molecular Weight | 138.141 g/mol |
SMILES | [C@@]1(OC1)(C1=C(F)C=CC=C1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849721 |