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(3S,4R)-4-benzyloxy-3-methyl-pentan-1-ol

View entire compound with spectra: 1 MS (GC)

(3S,4R)-4-benzyloxy-3-methyl-pentan-1-ol
SpectraBase Compound ID EdpKj5vM76Z
InChI InChI=1S/C13H20O2/c1-11(8-9-14)12(2)15-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKey KCTUVSQQULASOC-NWDGAFQWSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6iAnwhwuMR
Name (3S,4R)-4-benzyloxy-3-methyl-pentan-1-ol
Appearance colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-11(8-9-14)12(2)15-10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKey KCTUVSQQULASOC-NWDGAFQWSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.201811330
Molecular Weight 208.301 g/mol
Optical Rotation [a]D20 = -24.5 (c = 1.2, DCM)
Reported Formula C13H20O2
SMILES OCC[C@@]([C@@](C)(OCc1ccccc1)[H])(C)[H]
SPLASH splash10-0006-9100000000-225157e96c80aa1d38d6
Source of Spectrum ACI-58-SM36-3S,4R-15
Wiley ID 1840557