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(2R,4S)-4-(4-Methoxyphenoxy)-2-methylpentan-1-ol
SpectraBase Compound ID 3N5oju5mQ6T
InChI InChI=1S/C13H20O3/c1-10(9-14)8-11(2)16-13-6-4-12(15-3)5-7-13/h4-7,10-11,14H,8-9H2,1-3H3/t10-,11+/m1/s1
InChIKey WSOLWQKWHOCXSR-MNOVXSKESA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75PY9jOu0JC
Name (2R,4S)-4-(4-Methoxyphenoxy)-2-methylpentan-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-10(9-14)8-11(2)16-13-6-4-12(15-3)5-7-13/h4-7,10-11,14H,8-9H2,1-3H3/t10-,11+/m1/s1
InChIKey WSOLWQKWHOCXSR-MNOVXSKESA-N
Instrument Name Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.53
Molecular Weight 224.300 g/mol
Optical Rotation [a]D26 = +48.2 (c = 1.24, CHCl3)
Reported Formula C13H20O3
SMILES OC[C@@](C[C@@](Oc1ccc(cc1)OC)(C)[H])(C)[H]
SPLASH splash10-00di-0900000000-cf9e54a205e47d98520f
Source of Spectrum BJO-15-SM10-SI-1
Thin-Layer Chromatography Rf = 0.43
Wiley ID 1841010