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2,2-Dimethyl-1-(5'-nitro-2'-thienyl)propyl p-tolyl sulfone
SpectraBase Compound ID 9PxpaahzJdJ
InChI InChI=1S/C16H19NO4S2/c1-11-5-7-12(8-6-11)23(20,21)15(16(2,3)4)13-9-10-14(22-13)17(18)19/h5-10,15H,1-4H3
InChIKey FJUOEWPWLBZQEW-UHFFFAOYSA-N
Mol Weight 353.45 g/mol
Molecular Formula C16H19NO4S2
Exact Mass 353.07555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hox3yP9vADx
Name 2,2-Dimethyl-1-(5'-nitro-2'-thienyl)propyl p-tolyl sulfone
Alternate Name(s) 2,2-Dimethyl-1-(5-nitro-2-thienyl)propyl 4-methylphenyl sulfone 2-{2,2-dimethyl-1-[(4-methylphenyl)sulfonyl]propyl}-5-nitrothiophene
CAS Registry Number 87207-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4S2
InChI InChI=1S/C16H19NO4S2/c1-11-5-7-12(8-6-11)23(20,21)15(16(2,3)4)13-9-10-14(22-13)17(18)19/h5-10,15H,1-4H3
InChIKey FJUOEWPWLBZQEW-UHFFFAOYSA-N
Molecular Weight 353.451 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(c1sc(N(=O)=O)cc1)C(C)(C)C
SPLASH splash10-0002-1900000000-471ab9adb5b66c52de40
Source of Spectrum J-48-4205-0
Wiley ID 1343817