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2-[(1E)-1-cyclododecenyl]-3-nonyn-2-ol
SpectraBase Compound ID 7KxPDqaWXzV
InChI InChI=1S/C21H36O/c1-3-4-5-13-16-19-21(2,22)20-17-14-11-9-7-6-8-10-12-15-18-20/h17,22H,3-15,18H2,1-2H3/b20-17+
InChIKey JMRCCHUQFKDRMN-LVZFUZTISA-N
Mol Weight 304.5 g/mol
Molecular Formula C21H36O
Exact Mass 304.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzpondP2zmS
Name 2-[(1E)-1-cyclododecenyl]-3-nonyn-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O
InChI InChI=1S/C21H36O/c1-3-4-5-13-16-19-21(2,22)20-17-14-11-9-7-6-8-10-12-15-18-20/h17,22H,3-15,18H2,1-2H3/b20-17+
InChIKey JMRCCHUQFKDRMN-LVZFUZTISA-N
Molecular Weight 304.518 g/mol
SMILES OC(C#CCCCCC)(\C1=C\CCCCCCCCCC1)C
SPLASH splash10-0a4r-0591000000-234bb9ff57a9cc38b016
Source of Spectrum J-63-9227-2
Synonyms 2-[(1E)-cyclododecen-1-yl]non-3-yn-2-ol
Wiley ID 1307047