SpectraBase Compound ID | F6TSDdweVCX |
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InChI | InChI=1S/C10H13ClO/c1-12-10(7-8-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
InChIKey | XXYMJFXCBAUDMV-UHFFFAOYSA-N |
Mol Weight | 184.67 g/mol |
Molecular Formula | C10H13ClO |
Exact Mass | 184.065493 g/mol |
SpectraBase Spectrum ID | 65I4rBJaWaE |
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Name | alpha-(2-Chloroethyl)benzyl methyl ether |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 184.065492738 u |
Formula | C10H13ClO |
InChI | InChI=1S/C10H13ClO/c1-12-10(7-8-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
InChIKey | XXYMJFXCBAUDMV-UHFFFAOYSA-N |
Molecular Weight | 184.666 g/mol |
SMILES | C=1C(=CC=CC1)C(CCCl)OC |
Spectrum/Structure Validation Score (Raman) | 0.995093 |