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5-[(3'R,4'R)-4'-Nitrohex-1'-en-3'-yl]benzo[d][1,3]dioxole

View entire compound with spectra: 1 MS (GC)

5-[(3'R,4'R)-4'-Nitrohex-1'-en-3'-yl]benzo[d][1,3]dioxole
SpectraBase Compound ID 5XCLr8xMrfk
InChI InChI=1S/C13H15NO4/c1-3-10(11(4-2)14(15)16)9-5-6-12-13(7-9)18-8-17-12/h3,5-7,10-11H,1,4,8H2,2H3/t10-,11-/m1/s1
InChIKey OMPTWQUOVQJQIM-GHMZBOCLSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnNYZByKUkR
Name 5-[(3'R,4'R)-4'-Nitrohex-1'-en-3'-yl]benzo[d][1,3]dioxole
Alternate Name(s) 5-((3R,4R)-4-nitrohex-1-en-3-yl)benzo[d][1,3]dioxole 5-[(1R,2R)-2-nitro-1-vinyl-butyl]-1,3-benzodioxole 5-[(3R,4R)-4-nitrohex-1-en-3-yl]-1,3-benzodioxole
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Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-3-10(11(4-2)14(15)16)9-5-6-12-13(7-9)18-8-17-12/h3,5-7,10-11H,1,4,8H2,2H3/t10-,11-/m1/s1
InChIKey OMPTWQUOVQJQIM-GHMZBOCLSA-N
Literature Reference DOI 10.1021/jo400663d
Molecular Weight 249.266 g/mol
SMILES c1cc(cc2c1OCO2)[C@@](C=C)([C@@](CC)([N+](=O)[O-])[H])[H]
SPLASH splash10-0f89-1920000000-a857001754c6ae46ec29
Source of Spectrum J-78-6507-2o
Wiley ID 1745529