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(S)-1-(1-(4-Methoxyphenyl)vinyl)-2,3-dihydro-1H-indene
SpectraBase Compound ID E4no7ZwqGBx
InChI InChI=1S/C18H18O/c1-13(14-7-10-16(19-2)11-8-14)17-12-9-15-5-3-4-6-18(15)17/h3-8,10-11,17H,1,9,12H2,2H3/t17-/m0/s1
InChIKey AAPWUNGHVMEFEL-KRWDZBQOSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UiyUza8zGA
Name (S)-1-(1-(4-Methoxyphenyl)vinyl)-2,3-dihydro-1H-indene
Appearance Colorless oil
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Formula C18H18O
InChI InChI=1S/C18H18O/c1-13(14-7-10-16(19-2)11-8-14)17-12-9-15-5-3-4-6-18(15)17/h3-8,10-11,17H,1,9,12H2,2H3/t17-/m0/s1
InChIKey AAPWUNGHVMEFEL-KRWDZBQOSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI pos
Literature Reference DOI 10.1002/anie.201810327
Molecular Weight 250.341 g/mol
Optical Rotation [a]D20: +89.18 (b = 0.92, CH2Cl2)
Reported Formula C18H18O
SMILES C(=C)(c1ccc(cc1)OC)[C@]1(c2c(CC1)cccc2)[H]
SPLASH splash10-00pi-0890000000-b61d30cdfeb47879c1c6
Source of Spectrum ACI-58-SM39-11b
Thin-Layer Chromatography Rf = 0.15 (hexane/EtOAc 100:0, UV, KMnO4, PAA)
Wiley ID 1840494