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(E)-Trimethyl 2-cyanocyclopropane-3-(4-methylphenyl)-1,1,2-tricarboxylate
SpectraBase Compound ID HBN9GJD5wBl
InChI InChI=1S/C17H17NO6/c1-10-5-7-11(8-6-10)12-16(9-18,13(19)22-2)17(12,14(20)23-3)15(21)24-4/h5-8,12H,1-4H3/t12-,16+/m0/s1
InChIKey CSQOHJOKHJJBNR-BLLLJJGKSA-N
Mol Weight 331.32 g/mol
Molecular Formula C17H17NO6
Exact Mass 331.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQtBJYtnkaR
Name (E)-Trimethyl 2-cyanocyclopropane-3-(4-methylphenyl)-1,1,2-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO6
InChI InChI=1S/C17H17NO6/c1-10-5-7-11(8-6-10)12-16(9-18,13(19)22-2)17(12,14(20)23-3)15(21)24-4/h5-8,12H,1-4H3/t12-,16+/m0/s1
InChIKey CSQOHJOKHJJBNR-BLLLJJGKSA-N
Molecular Weight 331.324 g/mol
SMILES C1([C@](C(=O)OC)(C#N)[C@@]1(c1ccc(cc1)C)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-08mr-4291000000-909f2006c0729f05a664
Source of Spectrum F-62-3994-3
Wiley ID 1633028