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(S)-1-Methoxy-4-(3-phenylbut-3-en-2-yl)benzene
SpectraBase Compound ID 8xbk692Utzt
InChI InChI=1S/C17H18O/c1-13(15-7-5-4-6-8-15)14(2)16-9-11-17(18-3)12-10-16/h4-12,14H,1H2,2-3H3/t14-/m1/s1
InChIKey ZMONYSBVNJGCEP-CQSZACIVSA-N
Mol Weight 238.33 g/mol
Molecular Formula C17H18O
Exact Mass 238.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcsfLRn3Z0p
Name (S)-1-Methoxy-4-(3-phenylbut-3-en-2-yl)benzene
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O
InChI InChI=1S/C17H18O/c1-13(15-7-5-4-6-8-15)14(2)16-9-11-17(18-3)12-10-16/h4-12,14H,1H2,2-3H3/t14-/m1/s1
InChIKey ZMONYSBVNJGCEP-CQSZACIVSA-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 238.330 g/mol
Optical Rotation [a]D22= +73.74 (b = 0.87, CH2Cl2)
Reported Formula C17H18O
SMILES [C@](C(=C)c1ccccc1)(c1ccc(cc1)OC)(C)[H]
SPLASH splash10-000i-0950000000-895e45724175e049ccf2
Source of Spectrum ACI-58-SM38-ent-11a
Thin-Layer Chromatography Rf = 0.16 (hexane/EtOAc 99:1, UV, KMnO4, PAA)
Wiley ID 1840542