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3-Chlorophenethyl alcohol, 2-methylpropyl ether

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

3-Chlorophenethyl alcohol, 2-methylpropyl ether
SpectraBase Compound ID 9eL56NGLtbd
InChI InChI=1S/C12H17ClO/c1-10(2)9-14-7-6-11-4-3-5-12(13)8-11/h3-5,8,10H,6-7,9H2,1-2H3
InChIKey PJDMIUMWSMKIQP-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 9XLaCnrrjpZ
Name 3-Chlorophenethyl alcohol, 2-methylpropyl 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/c1-10(2)9-14-7-6-11-4-3-5-12(13)8-11/h3-5,8,10H,6-7,9H2,1-2H3
InChIKey PJDMIUMWSMKIQP-UHFFFAOYSA-N
Molecular Weight 212.720 g/mol
SMILES C1=C(C=C(C=C1)Cl)CCOCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875176