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Trimethyl (2R*,3R*)-2-cyanocyclopropane-3-(3-methylphenyl)-1,1,2-tricarboxylate
SpectraBase Compound ID 4zj6d9RVkuO
InChI InChI=1S/C17H17NO6/c1-10-6-5-7-11(8-10)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+/m1/s1
InChIKey ZEDCCYBJWAXWHZ-WBMJQRKESA-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 Lk8UraqEpv1
Name Trimethyl (2R*,3R*)-2-cyanocyclopropane-3-(3-methylphenyl)-1,1,2-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO6
InChI InChI=1S/C17H17NO6/c1-10-6-5-7-11(8-10)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+/m1/s1
InChIKey ZEDCCYBJWAXWHZ-WBMJQRKESA-N
Literature Reference DOI 10.1039/C5RA19690F
Molecular Weight 331.324 g/mol
SMILES [C@@]1(C([C@@]1(c1cccc(c1)C)[H])(C(OC)=O)C(OC)=O)(C#N)C(=O)OC
SPLASH splash10-08mi-4391000000-e413926fd9576a57ca2e
Source of Spectrum RSA-5-98522/SM3-4d
Synonyms Trimethyl (2R,3R)-2-cyano-3-(m-tolyl)cyclopropane-1,1,2-tricarboxylate
Wiley ID 1802740