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(R)-2-Cyclopropyl-2-hydroxy-1-(3,5-dimethoxyphenyl)ethan-1-one
SpectraBase Compound ID 15eRvZ5nQ5B
InChI InChI=1S/C13H16O4/c1-16-10-5-9(6-11(7-10)17-2)13(15)12(14)8-3-4-8/h5-8,12,14H,3-4H2,1-2H3/t12-/m1/s1
InChIKey VOYPESXITJZJCA-GFCCVEGCSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 385VUKyX6e
Name (R)-2-Cyclopropyl-2-hydroxy-1-(3,5-dimethoxyphenyl)ethan-1-one
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
GC Column FS-Supreme-5 (30 m x 250 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C13H16O4/c1-16-10-5-9(6-11(7-10)17-2)13(15)12(14)8-3-4-8/h5-8,12,14H,3-4H2,1-2H3/t12-/m1/s1
InChIKey VOYPESXITJZJCA-GFCCVEGCSA-N
Instrument Name HP 6890 GC-HP 5973 MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602084
Molecular Weight 236.267 g/mol
Quality 131
SMILES O[C@@](C(C=1C=C(C=C(C1)OC)OC)=O)(C1CC1)[H]
SPLASH splash10-014r-0910000000-0f34992d792bbf6b7943
Source of Spectrum QE-22-SM16-20a (DOI: 10.1002/chem.201602084)
Wiley ID 1905082