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(E)-Trimethyl 2-cyanocyclopropane-3-phenyl-1,1,2-tricarboxylate
SpectraBase Compound ID IinXGuElfg1
InChI InChI=1S/C16H15NO6/c1-21-12(18)15(9-17)11(10-7-5-4-6-8-10)16(15,13(19)22-2)14(20)23-3/h4-8,11H,1-3H3/t11-,15+/m0/s1
InChIKey YPHDYCJRZGXJRO-XHDPSFHLSA-N
Mol Weight 317.3 g/mol
Molecular Formula C16H15NO6
Exact Mass 317.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFgdwrrc5tp
Name (E)-Trimethyl 2-cyanocyclopropane-3-phenyl-1,1,2-tricarboxylate
Alternate Name(s) (2S,3S)-2-cyano-3-phenylcyclopropane-1,1,2-tricarboxylic acid trimethyl ester Trimethyl (2S,3S)-2-cyano-3-phenylcyclopropane-1,1,2-tricarboxylate Trimethyl (2S,3S)-2-cyano-3-phenyl-cyclopropane-1,1,2-tricarboxylate
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Formula C16H15NO6
InChI InChI=1S/C16H15NO6/c1-21-12(18)15(9-17)11(10-7-5-4-6-8-10)16(15,13(19)22-2)14(20)23-3/h4-8,11H,1-3H3/t11-,15+/m0/s1
InChIKey YPHDYCJRZGXJRO-XHDPSFHLSA-N
Molecular Weight 317.297 g/mol
SMILES C1([C@](C(=O)OC)(C#N)[C@@]1(c1ccccc1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-5980000000-cb192df9a373b90d9dcf
Source of Spectrum F-62-3994-3
Wiley ID 1633030