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1-Chloro-4-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene

View entire compound with spectra: 1 MS (GC)

1-Chloro-4-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene
SpectraBase Compound ID 88YWj6tRe4a
InChI InChI=1S/C12H14ClNO2/c1-3-11(12(4-2)14(15)16)9-5-7-10(13)8-6-9/h3,5-8,11-12H,1,4H2,2H3/t11-,12-/m1/s1
InChIKey CNFBTTBLZSYJEC-VXGBXAGGSA-N
Mol Weight 239.7 g/mol
Molecular Formula C12H14ClNO2
Exact Mass 239.071306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcxYf5E7xlu
Name 1-Chloro-4-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene
Alternate Name(s) 1-Chloro-4-((3R,4R)-4-nitrohex-1-en-3-yl)benzene 1-Chloro-4-[(3R,4R)-4-nitrohex-1-en-3-yl]benzene 1-Chloro-4-[(1R,2R)-2-nitro-1-vinyl-butyl]benzene 1-Chloranyl-4-[(3R,4R)-4-nitrohex-1-en-3-yl]benzene
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Formula C12H14ClNO2
InChI InChI=1S/C12H14ClNO2/c1-3-11(12(4-2)14(15)16)9-5-7-10(13)8-6-9/h3,5-8,11-12H,1,4H2,2H3/t11-,12-/m1/s1
InChIKey CNFBTTBLZSYJEC-VXGBXAGGSA-N
Literature Reference DOI 10.1021/jo400663d
Molecular Weight 239.702 g/mol
SMILES c1cc(ccc1Cl)[C@@](C=C)([C@]([N+](=O)[O-])(CC)[H])[H]
SPLASH splash10-0gdl-1900000000-9aded8c5918dadcfe642
Source of Spectrum J-78-6506-2i
Wiley ID 1745523