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4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione

View entire compound with spectra: 1 MS (GC)

4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID FbB4mrk8LnO
InChI InChI=1S/C8H6ClN3O2/c9-5-2-1-3-6(4-5)12-7(13)10-11-8(12)14/h1-4H,(H,10,13)(H,11,14)
InChIKey ZTIVJMZLPRIKKR-UHFFFAOYSA-N
Mol Weight 211.61 g/mol
Molecular Formula C8H6ClN3O2
Exact Mass 211.014854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCRNhWCU8OI
Name 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione
Alternate Name(s) 4-(3-Chlorophenyl)urazole [1,2,4]Triazolidine-3,5-dione, 4-(3-chlorophenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClN3O2
InChI InChI=1S/C8H6ClN3O2/c9-5-2-1-3-6(4-5)12-7(13)10-11-8(12)14/h1-4H,(H,10,13)(H,11,14)
InChIKey ZTIVJMZLPRIKKR-UHFFFAOYSA-N
Molecular Weight 211.608 g/mol
SMILES N1NC(N(C1=O)c1cc(Cl)ccc1)=O
SPLASH splash10-0ik9-7940000000-f72d0c08af674fb98918
Wiley ID 1441204