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Trimethyl (2R*,3R*)-2-cyanocyclopropane-3-(4-fluorophenyl)-1,1,2-tricarboxylate
SpectraBase Compound ID 65XCAT6g0XJ
InChI InChI=1S/C16H14FNO6/c1-22-12(19)15(8-18)11(9-4-6-10(17)7-5-9)16(15,13(20)23-2)14(21)24-3/h4-7,11H,1-3H3/t11-,15+/m1/s1
InChIKey RLQHXSCTJINBDH-ABAIWWIYSA-N
Mol Weight 335.29 g/mol
Molecular Formula C16H14FNO6
Exact Mass 335.080515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xrvpICpphw
Name Trimethyl (2R*,3R*)-2-cyanocyclopropane-3-(4-fluorophenyl)-1,1,2-tricarboxylate
Alternate Name(s) Trimethyl (2R,3R)-2-cyano-3-(4-fluorophenyl)cyclopropane-1,1,2-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14FNO6
InChI InChI=1S/C16H14FNO6/c1-22-12(19)15(8-18)11(9-4-6-10(17)7-5-9)16(15,13(20)23-2)14(21)24-3/h4-7,11H,1-3H3/t11-,15+/m1/s1
InChIKey RLQHXSCTJINBDH-ABAIWWIYSA-N
Literature Reference DOI 10.1039/C5RA19690F
Molecular Weight 335.287 g/mol
SMILES [C@@]1(C([C@@]1(c1ccc(cc1)F)[H])(C(OC)=O)C(OC)=O)(C#N)C(=O)OC
SPLASH splash10-0aor-9220000000-ad1298554d33b28aafcf
Source of Spectrum RSA-5-98522/SM4-4g
Wiley ID 1802741