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(4R,5R,E)-4-Isopropyl-5-phenylpent-2-ene-1,5-diol
SpectraBase Compound ID CCG670iGGil
InChI InChI=1S/C14H20O2/c1-11(2)13(9-6-10-15)14(16)12-7-4-3-5-8-12/h3-9,11,13-16H,10H2,1-2H3/b9-6+/t13-,14-/m0/s1
InChIKey OQQZJJWPMZFNQB-HXUSNMGPSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vhK2Hzvu2C
Name (4R,5R,E)-4-Isopropyl-5-phenylpent-2-ene-1,5-diol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-11(2)13(9-6-10-15)14(16)12-7-4-3-5-8-12/h3-9,11,13-16H,10H2,1-2H3/b9-6+/t13-,14-/m0/s1
InChIKey OQQZJJWPMZFNQB-HXUSNMGPSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201901163
Molecular Weight 220.312 g/mol
Optical Rotation [a]D20 = 94.2 (c = 1.12, CH2Cl2
Quality 58
SMILES OC\C=C\[C@]([C@@](O)(C1=CC=CC=C1)[H])(C(C)C)[H]
SPLASH splash10-0002-9300000000-3606be987f8863723827
Source of Spectrum QE-25-SM13-(E)-9h (DOI: 10.1002/chem.201901163)
Wiley ID 1893729