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3-Chlorophenethyl alcohol, tert.-butyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Chlorophenethyl alcohol, tert.-butyl ether
SpectraBase Compound ID H6S6jnjpvMT
InChI InChI=1S/C12H17ClO/c1-12(2,3)14-8-7-10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3
InChIKey RWYGWSBMDUUCIN-UHFFFAOYSA-N
Mol Weight 212.72 g/mol
Molecular Formula C12H17ClO
Exact Mass 212.096793 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DCeLPkIZzMb
Name 3-Chlorophenethyl alcohol, tert.-butyl 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)14-8-7-10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3
InChIKey RWYGWSBMDUUCIN-UHFFFAOYSA-N
Molecular Weight 212.720 g/mol
SMILES C1=C(C=C(C=C1)Cl)CCOC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898265