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(2R)-2-(benzoxymethyl)-3-chloro-2-methyl-propan-1-ol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(2R)-2-(benzoxymethyl)-3-chloro-2-methyl-propan-1-ol
SpectraBase Compound ID 5hb4TzacF8u
InChI InChI=1S/C12H17ClO2/c1-12(8-13,9-14)10-15-7-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3/t12-/m1/s1
InChIKey AODRBUNSGCJVNJ-GFCCVEGCSA-N
Mol Weight 228.72 g/mol
Molecular Formula C12H17ClO2
Exact Mass 228.091707 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ACg5jiEwvzP
Name (2R)-2-(Benzoxymethyl)-3-chloro-2-methyl-propan-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.091707485 u
Formula C12H17ClO2
InChI InChI=1S/C12H17ClO2/c1-12(8-13,9-14)10-15-7-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3/t12-/m1/s1
InChIKey AODRBUNSGCJVNJ-GFCCVEGCSA-N
Molecular Weight 228.719 g/mol
SMILES [C@](COCC=1C=CC=CC1)(CCl)(CO)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866231