For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-Trimethyl 2-cyanocyclopropane-3-(2-chlorophenyl)-1,1,2-tricarboxylate
SpectraBase Compound ID AnQMc0z6NLM
InChI InChI=1S/C16H14ClNO6/c1-22-12(19)15(8-18)11(9-6-4-5-7-10(9)17)16(15,13(20)23-2)14(21)24-3/h4-7,11H,1-3H3/t11-,15+/m0/s1
InChIKey NRWMPQWFNIMESQ-XHDPSFHLSA-N
Mol Weight 351.74 g/mol
Molecular Formula C16H14ClNO6
Exact Mass 351.050965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KzxuDfrPCTc
Name (E)-Trimethyl 2-cyanocyclopropane-3-(2-chlorophenyl)-1,1,2-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClNO6
InChI InChI=1S/C16H14ClNO6/c1-22-12(19)15(8-18)11(9-6-4-5-7-10(9)17)16(15,13(20)23-2)14(21)24-3/h4-7,11H,1-3H3/t11-,15+/m0/s1
InChIKey NRWMPQWFNIMESQ-XHDPSFHLSA-N
Molecular Weight 351.742 g/mol
SMILES C1([C@](C(=O)OC)(C#N)[C@@]1(c1c(Cl)cccc1)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0a4l-5291000000-7feececa296b1c8f68ae
Source of Spectrum F-62-3995-3
Synonyms (2S,3S)-3-(2-chlorophenyl)-2-cyanocyclopropane-1,1,2-tricarboxylic acid trimethyl ester Trimethyl (2S,3S)-3-(2-chlorophenyl)-2-cyanocyclopropane-1,1,2-tricarboxylate Trimethyl (2S,3S)-3-(2-chlorophenyl)-2-cyano-cyclopropane-1,1,2-tricarboxylate
Wiley ID 1633026