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5-(1,1-Dimethyl-3-phenyl-2-propinyl)-1,3-cyclooctadiene
SpectraBase Compound ID LlVPjZqa5Lx
InChI InChI=1S/C19H22/c1-19(2,16-15-17-11-7-6-8-12-17)18-13-9-4-3-5-10-14-18/h3-4,6-9,11-13,18H,5,10,14H2,1-2H3/b4-3-,13-9-
InChIKey GNTGTKYENXAMJT-STDQBLBLSA-N
Mol Weight 250.38 g/mol
Molecular Formula C19H22
Exact Mass 250.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4f30bmfyPUL
Name 5-(1,1-Dimethyl-3-phenyl-2-propinyl)-1,3-cyclooctadiene
Alternate Name(s) (1Z,3Z)-5-(2-methyl-4-phenylbut-3-yn-2-yl)cycloocta-1,3-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22
InChI InChI=1S/C19H22/c1-19(2,16-15-17-11-7-6-8-12-17)18-13-9-4-3-5-10-14-18/h3-4,6-9,11-13,18H,5,10,14H2,1-2H3/b4-3-,13-9-
InChIKey GNTGTKYENXAMJT-STDQBLBLSA-N
Literature Reference DOI 10.1002/cber.19821151105
Molecular Weight 250.385 g/mol
SMILES C1\C=C/C=C\C(CC1)C(C#Cc1ccccc1)(C)C
SPLASH splash10-0006-0910000000-6c4308f113d4d550726a
Source of Spectrum K-115-3526-6
Wiley ID 1791916