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N-Isobutyl-2E,4E,10E,12Z-tetradecatetraen-8-ynamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-Isobutyl-2E,4E,10E,12Z-tetradecatetraen-8-ynamide
SpectraBase Compound ID LgH4wRMLbJQ
InChI InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-7,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4-,7-6+,13-12+,15-14+
InChIKey BBSFQPJZOWFJSG-SCQJVDGFSA-N
Mol Weight 271.4 g/mol
Molecular Formula C18H25NO
Exact Mass 271.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50pV5m0wxk
Name N-Isobutyl-2E,4E,10E,12Z-tetradecatetraen-8-ynamide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO
InChI InChI=1S/C18H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h4-7,12-15,17H,10-11,16H2,1-3H3,(H,19,20)/b5-4-,7-6+,13-12+,15-14+
InChIKey BBSFQPJZOWFJSG-SCQJVDGFSA-N
Instrument Name Fisons MD800 GCMS
Ionization Type EI
Literature Reference DOI 10.1021/np0301745
Molecular Weight 271.404 g/mol
SMILES N(C(\C=C\C=C\CCC#C\C=C\C=C/C)=O)CC(C)C
SPLASH splash10-004i-9600000000-7cd807a0cd04cf0a04e6
Source of Spectrum G4-66-1230-1
Wiley ID 1883991