SpectraBase Compound ID | 70yneaI0XBf |
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InChI | InChI=1S/C11H15ClO/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7H,8H2,1-3H3 |
InChIKey | GUGDVZNGVZOFGA-UHFFFAOYSA-N |
Mol Weight | 198.69 g/mol |
Molecular Formula | C11H15ClO |
Exact Mass | 198.081143 g/mol |
SpectraBase Spectrum ID | BD0YMq6CvpU |
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Name | 4-Chlorobenzyl alcohol, tert.-butyl ether |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 198.081142802 u |
Formula | C11H15ClO |
InChI | InChI=1S/C11H15ClO/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7H,8H2,1-3H3 |
InChIKey | GUGDVZNGVZOFGA-UHFFFAOYSA-N |
Molecular Weight | 198.693 g/mol |
SMILES | C1=CC(=CC=C1COC(C)(C)C)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940017 |