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XKDOBNOMGNPNHO-UHFFFAOYSA-N
SpectraBase Compound ID H7PpIXAoGP2
InChI InChI=1S/C7H11I/c1-2-3-4-5-6-7-8/h2-5H2,1H3
InChIKey XKDOBNOMGNPNHO-UHFFFAOYSA-N
Mol Weight 222.07 g/mol
Molecular Formula C7H11I
Exact Mass 221.990545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ve2pZKWJs
Name 1-Iodohept-1-yne
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11I
InChI InChI=1S/C7H11I/c1-2-3-4-5-6-7-8/h2-5H2,1H3
InChIKey XKDOBNOMGNPNHO-UHFFFAOYSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b00757
Molecular Weight 222.069 g/mol
SMILES C(#CI)CCCCC
SPLASH splash10-00tb-6940000000-51f9db93c4c13bc5724e
Source of Spectrum G4-78-SM3-11
Thin-Layer Chromatography Rf = 0.74 (PE/EtOAc, 80:20)
Wiley ID 1865833