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Trimethyl (2R*,3R*)-2-cyanocyclopropane-3-(4-nitrophenyl)-1,1,2-tricarboxylate
SpectraBase Compound ID EjJVfGhaeDK
InChI InChI=1S/C16H14N2O8/c1-24-12(19)15(8-17)11(9-4-6-10(7-5-9)18(22)23)16(15,13(20)25-2)14(21)26-3/h4-7,11H,1-3H3/t11-,15+/m1/s1
InChIKey XREQLCAKJGJWJH-ABAIWWIYSA-N
Mol Weight 362.29 g/mol
Molecular Formula C16H14N2O8
Exact Mass 362.075015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWrDyTq7299
Name Trimethyl (2R*,3R*)-2-cyanocyclopropane-3-(4-nitrophenyl)-1,1,2-tricarboxylate
Alternate Name(s) Trimethyl (2R,3R)-2-cyano-3-(4-nitrophenyl)cyclopropane-1,1,2-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O8
InChI InChI=1S/C16H14N2O8/c1-24-12(19)15(8-17)11(9-4-6-10(7-5-9)18(22)23)16(15,13(20)25-2)14(21)26-3/h4-7,11H,1-3H3/t11-,15+/m1/s1
InChIKey XREQLCAKJGJWJH-ABAIWWIYSA-N
Literature Reference DOI 10.1039/C5RA19690F
Molecular Weight 362.294 g/mol
SMILES [C@@]1(C([C@@]1(c1ccc(cc1)[N+](=O)[O-])[H])(C(OC)=O)C(OC)=O)(C#N)C(=O)OC
SPLASH splash10-0zfr-4219000000-9cdcfca99eba2bb780a8
Source of Spectrum RSA-5-98522/SM5-4k
Wiley ID 1802744