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trans-3,3-Dicyano-2-(3-nitrophenyl)-1-thienoylcyclopropane
SpectraBase Compound ID 7pLEncuqQ4w
InChI InChI=1S/C16H9N3O3S/c17-8-16(9-18)13(10-3-1-4-11(7-10)19(21)22)14(16)15(20)12-5-2-6-23-12/h1-7,13-14H/t13-,14+/m0/s1
InChIKey AQWUADQJLKKYPM-UONOGXRCSA-N
Mol Weight 323.33 g/mol
Molecular Formula C16H9N3O3S
Exact Mass 323.036462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ly0BCrrKxYM
Name trans-3,3-Dicyano-2-(3-nitrophenyl)-1-thienoylcyclopropane
Alternate Name(s) (2R,3S)-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)cyclopropane-1,1-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9N3O3S
InChI InChI=1S/C16H9N3O3S/c17-8-16(9-18)13(10-3-1-4-11(7-10)19(21)22)14(16)15(20)12-5-2-6-23-12/h1-7,13-14H/t13-,14+/m0/s1
InChIKey AQWUADQJLKKYPM-UONOGXRCSA-N
Literature Reference DOI 10.1002/cjoc.200790221
Molecular Weight 323.326 g/mol
SMILES C(#N)C1(C#N)[C@]([C@@]1(c1cccc(c1)[N+](=O)[O-])[H])(C(c1cccs1)=O)[H]
SPLASH splash10-03di-0900000000-1b5ef1b557ab9a0f021f
Source of Spectrum CJC-25-1190-3b_3
Wiley ID 1774475