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1-Benzyloxy-3,5-dimethyl-hexan-2,4-diol

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

1-Benzyloxy-3,5-dimethyl-hexan-2,4-diol
SpectraBase Compound ID 8Z651qd6n98
InChI InChI=1S/C15H24O3/c1-11(2)15(17)12(3)14(16)10-18-9-13-7-5-4-6-8-13/h4-8,11-12,14-17H,9-10H2,1-3H3
InChIKey XLNQOFWEJQJLFI-UHFFFAOYSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AIGbcAgTU8w
Name 1-Benzyloxy-3,5-dimethyl-hexan-2,4-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.172544630 u
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-11(2)15(17)12(3)14(16)10-18-9-13-7-5-4-6-8-13/h4-8,11-12,14-17H,9-10H2,1-3H3
InChIKey XLNQOFWEJQJLFI-UHFFFAOYSA-N
Molecular Weight 252.354 g/mol
SMILES C(C(C(C(C(C)C)O)C)O)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860402