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(2S,3S)-1,2-O-Isopropylidenehex-5-en-3-yl p-nitribenzoate
SpectraBase Compound ID C7uSrdJPpOl
InChI InChI=1S/C16H19NO6/c1-4-5-13(14-10-21-16(2,3)23-14)22-15(18)11-6-8-12(9-7-11)17(19)20/h4,6-9,13-14H,1,5,10H2,2-3H3/t13-,14-/m0/s1
InChIKey ICRDKONMJCMLBM-KBPBESRZSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vSv2tFfZVd
Name (2S,3S)-1,2-O-Isopropylidenehex-5-en-3-yl p-nitribenzoate
Alternate Name(s) (1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-butenyl 4-nitrobenzoate 4-Nitrobenzoic acid[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]ester [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]4-nitrobenzoate [(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] 4-nitrobenzoate
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Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-4-5-13(14-10-21-16(2,3)23-14)22-15(18)11-6-8-12(9-7-11)17(19)20/h4,6-9,13-14H,1,5,10H2,2-3H3/t13-,14-/m0/s1
InChIKey ICRDKONMJCMLBM-KBPBESRZSA-N
Molecular Weight 321.329 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@]([C@]2(OC(C)(C)OC2)[H])(CC=C)[H])=O)cc1
SPLASH splash10-00di-0921000000-8c1eb3a83f3fa52f338f
Source of Spectrum KC-0-2565-29
Wiley ID 823177