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1,2-Bis(oct-1-ynyl)benzene
SpectraBase Compound ID ApUC5YYThbM
InChI InChI=1S/C22H30/c1-3-5-7-9-11-13-17-21-19-15-16-20-22(21)18-14-12-10-8-6-4-2/h15-16,19-20H,3-12H2,1-2H3
InChIKey QDJWIVMNTSLHNV-UHFFFAOYSA-N
Mol Weight 294.48 g/mol
Molecular Formula C22H30
Exact Mass 294.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wfIhA8QabN
Name 1,2-Bis(oct-1-ynyl)benzene
Alternate Name(s) 1,2-Bis(1-octynyl)benzene 1,2-Di(oct-1-yn-1-yl)benzene
CAS Registry Number 121221-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30
InChI InChI=1S/C22H30/c1-3-5-7-9-11-13-17-21-19-15-16-20-22(21)18-14-12-10-8-6-4-2/h15-16,19-20H,3-12H2,1-2H3
InChIKey QDJWIVMNTSLHNV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200303067
Molecular Weight 294.482 g/mol
SMILES c1(c(cccc1)C#CCCCCCC)C#CCCCCCC
SPLASH splash10-0ldl-0900000000-6b3e5a3564f183a8188a
Source of Spectrum ASC-345-1155-9k
Wiley ID 1767434