SpectraBase Compound ID | 9KdaYT3WRH9 |
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InChI | InChI=1S/C9H9FO/c1-6-4-7(10)2-3-8(6)9-5-11-9/h2-4,9H,5H2,1H3 |
InChIKey | WMKBHLOZAVREOH-UHFFFAOYSA-N |
Mol Weight | 152.17 g/mol |
Molecular Formula | C9H9FO |
Exact Mass | 152.063743 g/mol |
SpectraBase Spectrum ID | 7pobLghJC4V |
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Name | Oxirane, (4-fluoro-2-methylphenyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.063743072 u |
Formula | C9H9FO |
InChI | InChI=1S/C9H9FO/c1-6-4-7(10)2-3-8(6)9-5-11-9/h2-4,9H,5H2,1H3 |
InChIKey | WMKBHLOZAVREOH-UHFFFAOYSA-N |
Molecular Weight | 152.168 g/mol |
SMILES | C1(=C(C=C(C=C1)F)C)C1CO1 |
Spectrum/Structure Validation Score (Raman) | 0.825968 |