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Benzene, 1-(3-buten-1-ynyl)-2-(1-octynyl)-

View entire compound with spectra: 1 MS (GC)

Benzene, 1-(3-buten-1-ynyl)-2-(1-octynyl)-
SpectraBase Compound ID LtG2uXHg1B7
InChI InChI=1S/C18H20/c1-3-5-7-8-9-10-14-18-16-12-11-15-17(18)13-6-4-2/h4,11-12,15-16H,2-3,5,7-9H2,1H3
InChIKey LXIQTAWDXQKOQB-UHFFFAOYSA-N
Mol Weight 236.36 g/mol
Molecular Formula C18H20
Exact Mass 236.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbA20fqw5t6
Name Benzene, 1-(3-buten-1-ynyl)-2-(1-octynyl)-
Alternate Name(s) 1-(3-buten-1-ynyl)-2-(1-octynyl)benzene 1-(but-3-en-1-ynyl)-2-(oct-1-ynyl)-benzene
CAS Registry Number 121221-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20
InChI InChI=1S/C18H20/c1-3-5-7-8-9-10-14-18-16-12-11-15-17(18)13-6-4-2/h4,11-12,15-16H,2-3,5,7-9H2,1H3
InChIKey LXIQTAWDXQKOQB-UHFFFAOYSA-N
Molecular Weight 236.358 g/mol
SMILES C(#Cc1c(C#CCCCCCC)cccc1)C=C
SPLASH splash10-014r-0910000000-f8ec0188273fc5185080
Source of Spectrum KC-1989-481-29
Wiley ID 1239206