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3-(4-Nitrobenzoyl)-4-tert-butyl-2,3-dihydrothiazol-2-thione
SpectraBase Compound ID 4PCVzXRAzOk
InChI InChI=1S/C14H14N2O3S2/c1-14(2,3)11-8-21-13(20)15(11)12(17)9-4-6-10(7-5-9)16(18)19/h4-8H,1-3H3
InChIKey JAIDKAHDIAOIMU-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C14H14N2O3S2
Exact Mass 322.044585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPVWm5gGpbJ
Name 3-(4-Nitrobenzoyl)-4-tert-butyl-2,3-dihydrothiazol-2-thione
Alternate Name(s) (4-(tert-butyl)-2-thioxothiazol-3(2H)-yl)(4-nitrophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O3S2
InChI InChI=1S/C14H14N2O3S2/c1-14(2,3)11-8-21-13(20)15(11)12(17)9-4-6-10(7-5-9)16(18)19/h4-8H,1-3H3
InChIKey JAIDKAHDIAOIMU-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200004)342_4_355
Molecular Weight 322.397 g/mol
SMILES C1(N(C(=CS1)C(C)(C)C)C(c1ccc(cc1)[N+](=O)[O-])=O)=S
SPLASH splash10-0udi-1900000000-7b94bb11ba7df350184b
Source of Spectrum JF-342-363-7a
Wiley ID 1766956