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2,2-Difluoro-1-methyl-2-nitroethyl 4-aminobenzenesulfonate
SpectraBase Compound ID Ab193kVXjXy
InChI InChI=1S/C9H10F2N2O5S/c1-6(9(10,11)13(14)15)18-19(16,17)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3
InChIKey BPXGKTNWQXQPRN-UHFFFAOYSA-N
Mol Weight 296.24 g/mol
Molecular Formula C9H10F2N2O5S
Exact Mass 296.027849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GXkWCmLBXb
Name 2,2-Difluoro-1-methyl-2-nitroethyl 4-aminobenzenesulfonate
CAS Registry Number 295345-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10F2N2O5S
InChI InChI=1S/C9H10F2N2O5S/c1-6(9(10,11)13(14)15)18-19(16,17)8-4-2-7(12)3-5-8/h2-6H,12H2,1H3
InChIKey BPXGKTNWQXQPRN-UHFFFAOYSA-N
Molecular Weight 296.245 g/mol
SMILES Nc1ccc(S(OC(C(N(=O)=O)(F)F)C)(=O)=O)cc1
SPLASH splash10-0a4l-9510000000-c9373fa9155cd5c4bb69
Source of Spectrum AD-0-2532-0
Synonyms (1,1-difluoro-1-nitropropan-2-yl) 4-aminobenzenesulfonate 4-Aminobenzenesulfonic acid (1,1-difluoro-1-nitropropan-2-yl) ester 4-Aminobenzenesulfonic acid (2,2-difluoro-1-methyl-2-nitro-ethyl) ester Benzenesulfonic acid, 4-amino-, 1,1-difluoro-1-nitroprop-2-yl ester (2,2-difluoro-1-methyl-2-nitro-ethyl) 4-aminobenzenesulfonate
Wiley ID 1419854