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(E)-Trimethyl 2-cyanocyclopropane-3-(4-methoxyphenyl)-1,1,2-tricarboxylate
SpectraBase Compound ID KHQySpt78NN
InChI InChI=1S/C17H17NO7/c1-22-11-7-5-10(6-8-11)12-16(9-18,13(19)23-2)17(12,14(20)24-3)15(21)25-4/h5-8,12H,1-4H3/t12-,16+/m0/s1
InChIKey XNJKXAQAGCINHP-BLLLJJGKSA-N
Mol Weight 347.32 g/mol
Molecular Formula C17H17NO7
Exact Mass 347.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ObOclJjwe
Name (E)-Trimethyl 2-cyanocyclopropane-3-(4-methoxyphenyl)-1,1,2-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO7
InChI InChI=1S/C17H17NO7/c1-22-11-7-5-10(6-8-11)12-16(9-18,13(19)23-2)17(12,14(20)24-3)15(21)25-4/h5-8,12H,1-4H3/t12-,16+/m0/s1
InChIKey XNJKXAQAGCINHP-BLLLJJGKSA-N
Molecular Weight 347.323 g/mol
SMILES C1([C@](C(=O)OC)(C#N)[C@@]1(c1ccc(cc1)OC)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-056s-6695000000-93bff8e530ed5ca1b7a8
Source of Spectrum F-62-3994-3
Wiley ID 1633027