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5-Chloro-1,4-diketo-1-(5-phenylamino-1,2,3-thiazol-4-yl)pentane
SpectraBase Compound ID IjPV4bypken
InChI InChI=1S/C13H12ClN3O2S/c14-8-10(18)6-7-11(19)12-13(20-17-16-12)15-9-4-2-1-3-5-9/h1-5,15H,6-8H2
InChIKey VIPBTUHVIXGQJP-UHFFFAOYSA-N
Mol Weight 309.77 g/mol
Molecular Formula C13H12ClN3O2S
Exact Mass 309.033876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIpmig48jlP
Name 5-Chloro-1,4-diketo-1-(5-phenylamino-1,2,3-thiazol-4-yl)pentane
Alternate Name(s) 1-(5-anilino-1,2,3-thiadiazol-4-yl)-5-chloro-1,4-pentanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClN3O2S
InChI InChI=1S/C13H12ClN3O2S/c14-8-10(18)6-7-11(19)12-13(20-17-16-12)15-9-4-2-1-3-5-9/h1-5,15H,6-8H2
InChIKey VIPBTUHVIXGQJP-UHFFFAOYSA-N
Molecular Weight 309.771 g/mol
SMILES N(c1c(nns1)C(=O)CCC(=O)CCl)c1ccccc1
SPLASH splash10-005a-2910000000-78d527f2f1a44d67dcdb
Source of Spectrum HC-16-152-0
Wiley ID 1310481