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(1Z,6E,8E)-1-nitro-5-(phenylmethoxy)-1,6,8-decatriene
SpectraBase Compound ID LpbXmwVR0mg
InChI InChI=1S/C17H21NO3/c1-2-3-5-12-17(13-8-9-14-18(19)20)21-15-16-10-6-4-7-11-16/h2-7,9-12,14,17H,8,13,15H2,1H3/b3-2+,12-5+,14-9-
InChIKey DKPDGIWMSBUPNM-COMNADGGSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JV8cOQPw9dy
Name (1Z,6E,8E)-1-nitro-5-(phenylmethoxy)-1,6,8-decatriene
CAS Registry Number 96575-22-3
Comments Less than 3 mono-isotopic peaks
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Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-2-3-5-12-17(13-8-9-14-18(19)20)21-15-16-10-6-4-7-11-16/h2-7,9-12,14,17H,8,13,15H2,1H3/b3-2+,12-5+,14-9-
InChIKey DKPDGIWMSBUPNM-COMNADGGSA-N
Molecular Weight 287.359 g/mol
SMILES C(\C=C/N(=O)=O)CC(\C=C\C=C\C)OCc1ccccc1
SPLASH splash10-0006-9000000000-b29b194ba2906e8d2feb
Source of Spectrum J-50-2631-5
Synonyms benzyl (2E,4E)-1-[(3Z)-4-nitro-3-butenyl]-2,4-hexadienyl ether [({(2E,4E)-1-[(3Z)-4-nitro-3-butenyl]-2,4-hexadienyl}oxy)methyl]benzene
Wiley ID 1290913