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1,3,5-tris(4-chlorobutyl)benzene
SpectraBase Compound ID 1HAfvhQY85q
InChI InChI=1S/C18H27Cl3/c19-10-4-1-7-16-13-17(8-2-5-11-20)15-18(14-16)9-3-6-12-21/h13-15H,1-12H2
InChIKey ULVROHUZQKWALU-UHFFFAOYSA-N
Mol Weight 349.77 g/mol
Molecular Formula C18H27Cl3
Exact Mass 348.117834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaTEsX8P5YA
Name 1,3,5-tris(4-chlorobutyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27Cl3
InChI InChI=1S/C18H27Cl3/c19-10-4-1-7-16-13-17(8-2-5-11-20)15-18(14-16)9-3-6-12-21/h13-15H,1-12H2
InChIKey ULVROHUZQKWALU-UHFFFAOYSA-N
Instrument Name Agilent 7820A-5977B
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000907
Molecular Weight 349.773 g/mol
SMILES c1(cc(CCCCCl)cc(CCCCCl)c1)CCCCCl
SPLASH splash10-006x-9074000000-e3ade80c16df4b65666e
Source of Spectrum ACI-59-SM53-53-4
Wiley ID 1858185