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(3R,4R)-4-Nitrohept-1-en-3-yl benzene
SpectraBase Compound ID AiYqi1KPsvu
InChI InChI=1S/C13H17NO2/c1-3-8-13(14(15)16)12(4-2)11-9-6-5-7-10-11/h4-7,9-10,12-13H,2-3,8H2,1H3/t12-,13-/m1/s1
InChIKey OVTZZBIIXWZLKT-CHWSQXEVSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fx2hWsyQcl
Name (3R,4R)-4-Nitrohept-1-en-3-yl benzene
Alternate Name(s) ((3R,4R)-4-nitrohept-1-en-3-yl)benzene [(1R,2R)-2-nitro-1-vinyl-pentyl]benzene [(3R,4R)-4-nitrohept-1-en-3-yl]benzene
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Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-3-8-13(14(15)16)12(4-2)11-9-6-5-7-10-11/h4-7,9-10,12-13H,2-3,8H2,1H3/t12-,13-/m1/s1
InChIKey OVTZZBIIXWZLKT-CHWSQXEVSA-N
Literature Reference DOI 10.1021/jo400663d
Molecular Weight 219.284 g/mol
SMILES c1cc(ccc1)[C@@](C=C)([C@]([N+](=O)[O-])(CCC)[H])[H]
SPLASH splash10-014l-4900000000-595ee784bf42c261ac79
Source of Spectrum J-78-6506-2c
Wiley ID 1745517