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(2R)-5-(4-methoxyphenyl)pentan-2-ol
SpectraBase Compound ID EPW6Nm3C7uq
InChI InChI=1S/C12H18O2/c1-10(13)4-3-5-11-6-8-12(14-2)9-7-11/h6-10,13H,3-5H2,1-2H3/t10-/m1/s1
InChIKey KFZMJMFZOZOOSL-SNVBAGLBSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVNFkohzOb3
Name (2R)-5-(4-methoxyphenyl)pentan-2-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-10(13)4-3-5-11-6-8-12(14-2)9-7-11/h6-10,13H,3-5H2,1-2H3/t10-/m1/s1
InChIKey KFZMJMFZOZOOSL-SNVBAGLBSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201800792
Molecular Weight 194.274 g/mol
Optical Rotation [a]D23 = -19.2 (c = 0.18, CHCl3)
Quality 167
Reported Formula C12H18O2
SMILES O[C@@](CCCC1=CC=C(C=C1)OC)(C)[H]
SPLASH splash10-0089-0900000000-b2b3a23f84ac810e4854
Sample Comments >99% ee
Source of Spectrum ACI-57-SM25-R-5e (DOI: 10.1002/anie.201800792)
Wiley ID 1890740