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trans-2-(3-Chlorophenyl)-3,3-dicyano-1-thienoylcyclopropane
SpectraBase Compound ID 1b15wgcmibj
InChI InChI=1S/C16H9ClN2OS/c17-11-4-1-3-10(7-11)13-14(16(13,8-18)9-19)15(20)12-5-2-6-21-12/h1-7,13-14H/t13-,14+/m0/s1
InChIKey BJPMEPSUKSQNJS-UONOGXRCSA-N
Mol Weight 312.77 g/mol
Molecular Formula C16H9ClN2OS
Exact Mass 312.012412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HQzOW2p7GA
Name trans-2-(3-Chlorophenyl)-3,3-dicyano-1-thienoylcyclopropane
Alternate Name(s) (2R,3S)-2-(3-chlorophenyl)-3-(thiophene-2-carbonyl)cyclopropane-1,1-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9ClN2OS
InChI InChI=1S/C16H9ClN2OS/c17-11-4-1-3-10(7-11)13-14(16(13,8-18)9-19)15(20)12-5-2-6-21-12/h1-7,13-14H/t13-,14+/m0/s1
InChIKey BJPMEPSUKSQNJS-UONOGXRCSA-N
Literature Reference DOI 10.1002/cjoc.200790221
Molecular Weight 312.774 g/mol
SMILES C(C1(C#N)[C@]([C@@]1(c1cccc(c1)Cl)[H])(C(c1sccc1)=O)[H])#N
SPLASH splash10-03di-0900000000-5d2ee25c464baff57ff1
Source of Spectrum CJC-25-1190-3b_5
Wiley ID 1774477