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trans-2-(5-Nitrothiazole-2-yl)-10b,10c-dimethyl-10b,10c-dihydropyrene
SpectraBase Compound ID JPBDTHjFgGc
InChI InChI=1S/C21H16N2O2S/c1-20-14-4-3-5-15(20)7-9-17-11-13(10-16(8-6-14)21(17,20)2)19-22-12-18(26-19)23(24)25/h3-12H,1-2H3
InChIKey SDZQOTOILRRHCJ-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C21H16N2O2S
Exact Mass 360.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aPmgehEyoo
Name trans-2-(5-Nitrothiazole-2-yl)-10b,10c-dimethyl-10b,10c-dihydropyrene
Alternate Name(s) 2-(10b,10c-dimethyl-10b,10c-dihydro-2-pyrenyl)-5-nitro-1,3-thiazole 2-(10b,10c-dimethyl-2-pyrenyl)-5-nitrothiazole 2-(10b,10c-dimethylpyren-2-yl)-5-nitro-1,3-thiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O2S
InChI InChI=1S/C21H16N2O2S/c1-20-14-4-3-5-15(20)7-9-17-11-13(10-16(8-6-14)21(17,20)2)19-22-12-18(26-19)23(24)25/h3-12H,1-2H3
InChIKey SDZQOTOILRRHCJ-UHFFFAOYSA-N
Molecular Weight 360.431 g/mol
SMILES c1(sc(-c2cc3ccc4C5(C3(c(c2)ccc5ccc4)C)C)nc1)N(=O)=O
SPLASH splash10-002b-0069000000-21dca94a048ea0d61a96
Source of Spectrum J-62-4417-6
Wiley ID 1348398