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1-Chloro-4-(3-hexylnona-1,3-dien-1-yl)benzene
SpectraBase Compound ID B4jgg3EOA0k
InChI InChI=1S/C21H31Cl/c1-3-5-7-9-11-19(12-10-8-6-4-2)13-14-20-15-17-21(22)18-16-20/h11,13-18H,3-10,12H2,1-2H3/b14-13+,19-11-
InChIKey UOXOWLBVQKZVLE-NDHQNFQFSA-N
Mol Weight 318.93 g/mol
Molecular Formula C21H31Cl
Exact Mass 318.211429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBNZlOksgE8
Name 1-Chloro-4-(3-hexylnona-1,3-dien-1-yl)benzene
Alternate Name(s) 1-Chloro-4-((1E,3Z)-3-hexylnona-1,3-dien-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31Cl
InChI InChI=1S/C21H31Cl/c1-3-5-7-9-11-19(12-10-8-6-4-2)13-14-20-15-17-21(22)18-16-20/h11,13-18H,3-10,12H2,1-2H3/b14-13+,19-11-
InChIKey UOXOWLBVQKZVLE-NDHQNFQFSA-N
Literature Reference DOI 10.1039/c4cc03651d
Molecular Weight 318.932 g/mol
SMILES c1(ccc(cc1)Cl)\C=C\C(CCCCCC)=C/CCCCC
SPLASH splash10-00or-1921000000-1cab28e6403039cfd3de
Source of Spectrum KD-50-8050/SMS12-7c_isomerb
Wiley ID 1754755