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(1S*,3S*)-3-(3,4-dimethoxyphenyl)-2,2-dimethylcyclopropane-1-carboxaldehyde
SpectraBase Compound ID JH5JpkTusdD
InChI InChI=1S/C14H18O3/c1-14(2)10(8-15)13(14)9-5-6-11(16-3)12(7-9)17-4/h5-8,10,13H,1-4H3/t10-,13-/m0/s1
InChIKey ZMVTYJOBGUKJJD-GWCFXTLKSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6BsgbRVjHq
Name (1S*,3S*)-3-(3,4-dimethoxyphenyl)-2,2-dimethylcyclopropane-1-carboxaldehyde
Appearance Colorless oil
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Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-14(2)10(8-15)13(14)9-5-6-11(16-3)12(7-9)17-4/h5-8,10,13H,1-4H3/t10-,13-/m0/s1
InChIKey ZMVTYJOBGUKJJD-GWCFXTLKSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/chem.201505063
Molecular Weight 234.295 g/mol
Quality 457
Reported Formula C14H18O3
SMILES C1(=CC(=C(C=C1)OC)OC)[C@@]1(C([C@]1(C=O)[H])(C)C)[H]
SPLASH splash10-0a4i-3490000000-a25daf40570f64df336e
Sample Comments trans/cis = 95:5
Source of Spectrum QE-22-SM34-3g (DOI: 10.1002/chem.201505063)
Wiley ID 1903141