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6-Methyl-5-methylenehept-1-yn-3-yl p-Nitrobenzoate
SpectraBase Compound ID 94vwTVaIEpK
InChI InChI=1S/C16H17NO4/c1-5-15(10-12(4)11(2)3)21-16(18)13-6-8-14(9-7-13)17(19)20/h1,6-9,11,15H,4,10H2,2-3H3
InChIKey SJEIXHPQSNNFQB-UHFFFAOYSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5xmkZcUgpy
Name 6-Methyl-5-methylenehept-1-yn-3-yl p-Nitrobenzoate
Alternate Name(s) 4-Nitrobenzoic acid (6-methyl-5-methylenehept-1-yn-3-yl) ester (6-methyl-5-methylidenehept-1-yn-3-yl) 4-nitrobenzoate (1-ethynyl-4-methyl-3-methylene-pentyl) 4-nitrobenzoate (6-methyl-5-methylidene-hept-1-yn-3-yl) 4-nitrobenzoate
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Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-5-15(10-12(4)11(2)3)21-16(18)13-6-8-14(9-7-13)17(19)20/h1,6-9,11,15H,4,10H2,2-3H3
InChIKey SJEIXHPQSNNFQB-UHFFFAOYSA-N
Molecular Weight 287.315 g/mol
SMILES c1(N(=O)=O)ccc(C(OC(C#C)CC(=C)C(C)C)=O)cc1
SPLASH splash10-0zfr-1900000000-9731da3bc281a90dfbdd
Source of Spectrum QE-14-9187-26
Wiley ID 1692434