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(1R,2S)-2-(Allyloxy)-3-bromo-3-cyclohexenyl - (4'-nitrophenyl)carbonate
SpectraBase Compound ID CActruVVVSJ
InChI InChI=1S/C16H16BrNO5/c1-2-10-22-15-13(17)4-3-5-14(15)23-16(19)11-6-8-12(9-7-11)18(20)21/h2,4,6-9,14-15H,1,3,5,10H2/t14-,15-/m1/s1
InChIKey NWOLFSAHWVYWGE-HUUCEWRRSA-N
Mol Weight 382.21 g/mol
Molecular Formula C16H16BrNO5
Exact Mass 381.021186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Uw2osYpN1r
Name (1R,2S)-2-(Allyloxy)-3-bromo-3-cyclohexenyl - (4'-nitrophenyl)carbonate
Alternate Name(s) 4-Nitro-benzoic acid (1R,2S)-2-allyloxy-3-bromo-cyclohex-3-enyl ester (1S,2S)-2-(Allyloxy)-3-bromo-1-[(p-nitrobenzoyl)oxy]cyclohex-3-ene (1S,2S)-2-(Allyloxy)-3-bromo-6-[(p-nitrobenzoyl)oxy]cyclohex-3-ene (1R,2S)-2-(allyloxy)-3-bromocyclohex-3-en-1-yl 4-nitrobenzoate 4-Nitrobenzoic acid [(1R,2S)-3-bromo-2-prop-2-enoxy-1-cyclohex-3-enyl] ester [(1R,2S)-3-bromo-2-prop-2-enoxycyclohex-3-en-1-yl] 4-nitrobenzoate [(1R,2S)-2-allyloxy-3-bromo-cyclohex-3-en-1-yl] 4-nitrobenzoate [(1R,2S)-3-bromanyl-2-prop-2-enoxy-cyclohex-3-en-1-yl] 4-nitrobenzoate
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Formula C16H16BrNO5
InChI InChI=1S/C16H16BrNO5/c1-2-10-22-15-13(17)4-3-5-14(15)23-16(19)11-6-8-12(9-7-11)18(20)21/h2,4,6-9,14-15H,1,3,5,10H2/t14-,15-/m1/s1
InChIKey NWOLFSAHWVYWGE-HUUCEWRRSA-N
Molecular Weight 382.210 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@]2([C@@](C(=CCC2)Br)(OCC=C)[H])[H])=O)cc1
SPLASH splash10-0udi-1910000000-fa1d613a21d7ad28f248
Source of Spectrum F5-5-521-17
Wiley ID 1733117