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(Z)-2-Heptylthio-3-(4-nitrophenyl)propenal
SpectraBase Compound ID 5F1l1H0XsO4
InChI InChI=1S/C16H21NO3S/c1-2-3-4-5-6-11-21-16(13-18)12-14-7-9-15(10-8-14)17(19)20/h7-10,12-13H,2-6,11H2,1H3/b16-12-
InChIKey ITCZCPPILKYXPQ-VBKFSLOCSA-N
Mol Weight 307.41 g/mol
Molecular Formula C16H21NO3S
Exact Mass 307.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWZUaLuTfxF
Name (Z)-2-Heptylthio-3-(4-nitrophenyl)propenal
Alternate Name(s) (Z)-2-(heptylthio)-3-(4-nitrophenyl)acrylaldehyde
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Formula C16H21NO3S
InChI InChI=1S/C16H21NO3S/c1-2-3-4-5-6-11-21-16(13-18)12-14-7-9-15(10-8-14)17(19)20/h7-10,12-13H,2-6,11H2,1H3/b16-12-
InChIKey ITCZCPPILKYXPQ-VBKFSLOCSA-N
Molecular Weight 307.408 g/mol
SMILES c1(N(=O)=O)ccc(\C=C\(C=O)SCCCCCCC)cc1
SPLASH splash10-052f-7934000000-30454576fd27d7c4ccd2
Source of Spectrum F-70-8969-4h
Wiley ID 1743274