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2-tert-Butyl-1-keto-5-phenyl-1,2,5-thiadiazolidine-3,4-quinone
SpectraBase Compound ID GT57uZFmUdX
InChI InChI=1S/C12H14N2O3S/c1-12(2,3)14-11(16)10(15)13(18(14)17)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey XCTKXDHXLYQVIW-UHFFFAOYSA-N
Mol Weight 266.31 g/mol
Molecular Formula C12H14N2O3S
Exact Mass 266.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APyADZPAJBD
Name 2-tert-Butyl-1-keto-5-phenyl-1,2,5-thiadiazolidine-3,4-quinone
Alternate Name(s) 2-tert-Butyl-1-oxidanylidene-5-phenyl-1,2,5-thiadiazolidine-3,4-dione 2-tert-Butyl-1-oxo-5-phenyl-1,2,5-thiadiazolidine-3,4-dione
CAS Registry Number 62933-75-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O3S
InChI InChI=1S/C12H14N2O3S/c1-12(2,3)14-11(16)10(15)13(18(14)17)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey XCTKXDHXLYQVIW-UHFFFAOYSA-N
Molecular Weight 266.315 g/mol
SMILES C1(N(S(N(C1=O)c1ccccc1)=O)C(C)(C)C)=O
SPLASH splash10-03di-0090000000-a33f2ed1e36858575805
Source of Spectrum SO-1977-64-2
Wiley ID 1536990