| SpectraBase Compound ID | 4bldmAVAvFi |
|---|---|
| InChI | InChI=1S/C12H17ClO/c1-12(2,3)9-14-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | GRDIXYXZZJGTFI-UHFFFAOYSA-N |
| Mol Weight | 212.72 g/mol |
| Molecular Formula | C12H17ClO |
| Exact Mass | 212.096793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2dIg6IyFzMJ |
|---|---|
| Name | 4-Chlorobenzyl alcohol, neopentyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.096792866 u |
| Formula | C12H17ClO |
| InChI | InChI=1S/C12H17ClO/c1-12(2,3)9-14-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | GRDIXYXZZJGTFI-UHFFFAOYSA-N |
| Molecular Weight | 212.720 g/mol |
| SMILES | C1=CC(=CC=C1COCC(C)(C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947122 |