SpectraBase Compound ID | 4EpqUrxNhTl |
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InChI | InChI=1S/C10H11FO/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-7H,1-2H3/b8-7+ |
InChIKey | QVZQLEGLWBBTHJ-BQYQJAHWSA-N |
Mol Weight | 166.2 g/mol |
Molecular Formula | C10H11FO |
Exact Mass | 166.079393 g/mol |
SpectraBase Spectrum ID | KgOTsxK5INa |
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Name | 1-(1-Fluoroprop-1-en-2-yl)-4-methoxybenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 166.079393136 u |
Formula | C10H11FO |
InChI | InChI=1S/C10H11FO/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-7H,1-2H3/b8-7+ |
InChIKey | QVZQLEGLWBBTHJ-BQYQJAHWSA-N |
Molecular Weight | 166.195 g/mol |
SMILES | C=1(\C(=C\F)C)C=CC(=CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938318 |