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(S*,S*)-4-benzyl-3-methyl-5-(2-methylbutyl)furan-2(5H)-one
SpectraBase Compound ID DYnrMUd6hs6
InChI InChI=1S/C17H22O2/c1-4-12(2)10-16-15(13(3)17(18)19-16)11-14-8-6-5-7-9-14/h5-9,12,16H,4,10-11H2,1-3H3/t12-,16-/m0/s1
InChIKey IHLYDVFWLRITHR-LRDDRELGSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LgchyHlzdN
Name (S*,S*)-4-benzyl-3-methyl-5-(2-methylbutyl)furan-2(5H)-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.161979946 u
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-4-12(2)10-16-15(13(3)17(18)19-16)11-14-8-6-5-7-9-14/h5-9,12,16H,4,10-11H2,1-3H3/t12-,16-/m0/s1
InChIKey IHLYDVFWLRITHR-LRDDRELGSA-N
Instrument Name ThermoFischer Scientific DSQII quadripolar-TraceUltra GC
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501294
Molecular Weight 258.361 g/mol
Reported Formula C17H22O2
SMILES C(C1=CC=CC=C1)C1=C(C(O[C@]1(C[C@](CC)(C)[H])[H])=O)C
SPLASH splash10-07bf-2930000000-df07d56d21661b7dfa7b
Sample Comments dr = 1:1
Source of Spectrum QE-21-SM43-syn-2n (DOI: 10.1002/chem.201501294)
Wiley ID 1909145