SpectraBase Compound ID | jtYNx5G3ip |
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InChI | InChI=1S/C8H9ClO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5H2,1H3 |
InChIKey | AHZGUZWGHGQNDN-UHFFFAOYSA-N |
Mol Weight | 156.61 g/mol |
Molecular Formula | C8H9ClO |
Exact Mass | 156.034193 g/mol |
SpectraBase Spectrum ID | F0ZEL7MhnJ4 |
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Name | 3-Chloro-2-methylbenzyl alcohol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 156.034192609 u |
Formula | C8H9ClO |
InChI | InChI=1S/C8H9ClO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5H2,1H3 |
InChIKey | AHZGUZWGHGQNDN-UHFFFAOYSA-N |
Molecular Weight | 156.612 g/mol |
SMILES | C1(=C(Cl)C=CC=C1CO)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933205 |