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(S)-But-3-ene-1,2,3-triyltribenzene
SpectraBase Compound ID 5NOSL2lNvRP
InChI InChI=1S/C22H20/c1-18(20-13-7-3-8-14-20)22(21-15-9-4-10-16-21)17-19-11-5-2-6-12-19/h2-16,22H,1,17H2/t22-/m1/s1
InChIKey XTQZMYGTODACMO-JOCHJYFZSA-N
Mol Weight 284.4 g/mol
Molecular Formula C22H20
Exact Mass 284.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Psf4l0PONZ
Name (S)-But-3-ene-1,2,3-triyltribenzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20
InChI InChI=1S/C22H20/c1-18(20-13-7-3-8-14-20)22(21-15-9-4-10-16-21)17-19-11-5-2-6-12-19/h2-16,22H,1,17H2/t22-/m1/s1
InChIKey XTQZMYGTODACMO-JOCHJYFZSA-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 284.402 g/mol
Optical Rotation [a]D20= +208.07 (b = 1.19, CH2Cl2)
Reported Formula C22H20
SMILES c1(C(=C)[C@@](Cc2ccccc2)(c2ccccc2)[H])ccccc1
SPLASH splash10-00kf-0900000000-d55bc8349c8267073faf
Source of Spectrum ACI-58-SM40-11c
Thin-Layer Chromatography Rf = 0.20 (hexane/EtOAc 100:0, UV, KMnO4, PAA)
Wiley ID 1840495