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2,2-Dimethyl-1-(5'-nitro-2'-furyl)propyl p-tolyl sulfone
SpectraBase Compound ID IN1f5nDdXlA
InChI InChI=1S/C16H19NO5S/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 LXBRZYIJYRJQQZ-UHFFFAOYSA-N
Mol Weight 337.39 g/mol
Molecular Formula C16H19NO5S
Exact Mass 337.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vJzRtrrBMv
Name 2,2-Dimethyl-1-(5'-nitro-2'-furyl)propyl p-tolyl sulfone
Alternate Name(s) 2,2-Dimethyl-1-(5-nitro-2-furyl)propyl 4-methylphenyl sulfone 2-{2,2-dimethyl-1-[(4-methylphenyl)sulfonyl]propyl}-5-nitrofuran
CAS Registry Number 108344-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO5S
InChI InChI=1S/C16H19NO5S/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 LXBRZYIJYRJQQZ-UHFFFAOYSA-N
Molecular Weight 337.390 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(c1oc(N(=O)=O)cc1)C(C)(C)C
SPLASH splash10-001l-9600000000-39249a003d800c0078af
Source of Spectrum J-52-2799-15
Wiley ID 1332979