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3-[2-(N-tert-Butoxycarbonylamino)anilino]-5-chloro-4H-1,2,6-thiadiazin-4-one
SpectraBase Compound ID DNPqArXiAn8
InChI InChI=1S/C14H15ClN4O3S/c1-14(2,3)22-13(21)17-9-7-5-4-6-8(9)16-12-10(20)11(15)18-23-19-12/h4-7H,1-3H3,(H,16,19)(H,17,21)
InChIKey KBJGOQCRSNIMPM-UHFFFAOYSA-N
Mol Weight 354.81 g/mol
Molecular Formula C14H15ClN4O3S
Exact Mass 354.055339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHQzs9Btiis
Name 3-[2-(N-tert-Butoxycarbonylamino)anilino]-5-chloro-4H-1,2,6-thiadiazin-4-one
Alternate Name(s) tert-Butyl 2-[(5-chloro-4-oxo-4H-1,2,6-thiadiazin-3-yl)amino]phenylcarbamate N-[2-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)amino]phenyl]carbamic acid tert-butyl ester tert-Butyl N-[2-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)amino]phenyl]carbamate tert-Butyl N-[2-[(5-chloranyl-4-oxidanylidene-1,2,6-thiadiazin-3-yl)amino]phenyl]carbamate
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Formula C14H15ClN4O3S
InChI InChI=1S/C14H15ClN4O3S/c1-14(2,3)22-13(21)17-9-7-5-4-6-8(9)16-12-10(20)11(15)18-23-19-12/h4-7H,1-3H3,(H,16,19)(H,17,21)
InChIKey KBJGOQCRSNIMPM-UHFFFAOYSA-N
Molecular Weight 354.812 g/mol
SMILES N(C=1C(C(Cl)=NSN1)=O)c1c(NC(OC(C)(C)C)=O)cccc1
SPLASH splash10-0a4i-8590000000-3c9ca08a1f36fa675fe3
Source of Spectrum KC-0-2604-6
Wiley ID 831520