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1-Iodo-2-methyl-3-octylcyclobut-1-ene
SpectraBase Compound ID 3knFxeaOAVI
InChI InChI=1S/C13H23I/c1-3-4-5-6-7-8-9-12-10-13(14)11(12)2/h12H,3-10H2,1-2H3
InChIKey UWIAADARTRBTNQ-UHFFFAOYSA-N
Mol Weight 306.23 g/mol
Molecular Formula C13H23I
Exact Mass 306.084446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HE7qH9rsG
Name 1-Iodo-2-methyl-3-octylcyclobut-1-ene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.084445741 u
Formula C13H23I
InChI InChI=1S/C13H23I/c1-3-4-5-6-7-8-9-12-10-13(14)11(12)2/h12H,3-10H2,1-2H3
InChIKey UWIAADARTRBTNQ-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
Molecular Weight 306.231 g/mol
Quality 170
Reported Formula C13H23I
SMILES C1(I)=C(C(C1)CCCCCCCC)C
SPLASH splash10-05r1-9300000000-6fcf348e3dac199bee5f
Source of Spectrum QE-23-SM13-17c (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.93 (hexane, UV, KMnO4)
Wiley ID 1903863