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(2S)-7,7-Ethylenedioxyhept-3-yn-2-yl 3,5-Dinitrobenzoate
SpectraBase Compound ID 5CHAhe5LAnV
InChI InChI=1S/C16H16N2O8/c1-11(4-2-3-5-15-24-6-7-25-15)26-16(19)12-8-13(17(20)21)10-14(9-12)18(22)23/h8-11,15H,3,5-7H2,1H3/t11-/m0/s1
InChIKey ICGFTPZGSSYOEB-NSHDSACASA-N
Mol Weight 364.31 g/mol
Molecular Formula C16H16N2O8
Exact Mass 364.090665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAKUaNPxqSx
Name (2S)-7,7-Ethylenedioxyhept-3-yn-2-yl 3,5-Dinitrobenzoate
Alternate Name(s) (1S)-5-(1,3-dioxolan-2-yl)-1-methyl-2-pentynyl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid[(1S)-5-(1,3-dioxolan-2-yl)-1-methyl-pent-2-ynyl]ester 3,5-Dinitrobenzoic acid[(2S)-6-(1,3-dioxolan-2-yl)hex-3-yn-2-yl]ester [(1S)-5-(1,3-dioxolan-2-yl)-1-methyl-pent-2-ynyl]3,5-dinitrobenzoate [(2S)-6-(1,3-dioxolan-2-yl)hex-3-yn-2-yl]3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid [(2S)-6-(1,3-dioxolan-2-yl)hex-3-yn-2-yl] ester [(1S)-5-(1,3-dioxolan-2-yl)-1-methyl-pent-2-ynyl] 3,5-dinitrobenzoate [(2S)-6-(1,3-dioxolan-2-yl)hex-3-yn-2-yl] 3,5-dinitrobenzoate
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Formula C16H16N2O8
InChI InChI=1S/C16H16N2O8/c1-11(4-2-3-5-15-24-6-7-25-15)26-16(19)12-8-13(17(20)21)10-14(9-12)18(22)23/h8-11,15H,3,5-7H2,1H3/t11-/m0/s1
InChIKey ICGFTPZGSSYOEB-NSHDSACASA-N
Molecular Weight 364.310 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(C(O[C@](C#CCCC2OCCO2)(C)[H])=O)c1
SPLASH splash10-00di-9000000000-2344c07771495cca4bd4
Source of Spectrum KC-0-2725-0
Wiley ID 826204