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1-Chloro-3-(2-methyl-3-octylcyclobut-1-en-1-yl)benzene
SpectraBase Compound ID 2kQbSOCqaRm
InChI InChI=1S/C19H27Cl/c1-3-4-5-6-7-8-10-16-14-19(15(16)2)17-11-9-12-18(20)13-17/h9,11-13,16H,3-8,10,14H2,1-2H3
InChIKey KAHHEQKHCQZKPF-UHFFFAOYSA-N
Mol Weight 290.88 g/mol
Molecular Formula C19H27Cl
Exact Mass 290.180129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Es7ubxXbgL
Name 1-Chloro-3-(2-methyl-3-octylcyclobut-1-en-1-yl)benzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.180128569 u
Formula C19H27Cl
InChI InChI=1S/C19H27Cl/c1-3-4-5-6-7-8-10-16-14-19(15(16)2)17-11-9-12-18(20)13-17/h9,11-13,16H,3-8,10,14H2,1-2H3
InChIKey KAHHEQKHCQZKPF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Quality 182
SMILES C1(Cl)=CC(=CC=C1)C1=C(C(C1)CCCCCCCC)C
SPLASH splash10-000f-4930000000-15793852da87dc450ffa
Source of Spectrum QE-23-SM26-18f (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.95 (hexane, UV, KMnO4)
Wiley ID 1903872