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

View entire compound with spectra: 1 MS (GC)

1-Methyl-4-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene
SpectraBase Compound ID EpIyVvgSXn0
InChI InChI=1S/C13H17NO2/c1-4-12(13(5-2)14(15)16)11-8-6-10(3)7-9-11/h4,6-9,12-13H,1,5H2,2-3H3/t12-,13-/m1/s1
InChIKey RMSZYFQVSMTERH-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 6NhppTuWu6N
Name 1-Methyl-4-[(3'R,4'R)-4'-nitrohex-1'-en-3'-yl]benzene
Alternate Name(s) 1-Methyl-4-((3R,4R)-4-nitrohex-1-en-3-yl)benzene 1-Methyl-4-[(1R,2R)-2-nitro-1-vinyl-butyl]benzene 1-Methyl-4-[(3R,4R)-4-nitrohex-1-en-3-yl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-4-12(13(5-2)14(15)16)11-8-6-10(3)7-9-11/h4,6-9,12-13H,1,5H2,2-3H3/t12-,13-/m1/s1
InChIKey RMSZYFQVSMTERH-CHWSQXEVSA-N
Literature Reference DOI 10.1021/jo400663d
Molecular Weight 219.284 g/mol
SMILES c1cc(ccc1C)[C@@](C=C)([C@]([N+](=O)[O-])(CC)[H])[H]
SPLASH splash10-001i-2900000000-eb43d2196d9a23b0cc11
Source of Spectrum J-78-6506-2g
Wiley ID 1745521