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1-[(3-Nitrophenyl)sulfonyl]acetone
SpectraBase Compound ID 5WTtiy1pVct
InChI InChI=1S/C9H9NO5S/c1-7(11)6-16(14,15)9-4-2-3-8(5-9)10(12)13/h2-5H,6H2,1H3
InChIKey CZEGPRNPHWFWQP-UHFFFAOYSA-N
Mol Weight 243.23 g/mol
Molecular Formula C9H9NO5S
Exact Mass 243.020144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXVyd0zBzId
Name 1-[(3-Nitrophenyl)sulfonyl]acetone
CAS Registry Number 125704-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO5S
InChI InChI=1S/C9H9NO5S/c1-7(11)6-16(14,15)9-4-2-3-8(5-9)10(12)13/h2-5H,6H2,1H3
InChIKey CZEGPRNPHWFWQP-UHFFFAOYSA-N
Molecular Weight 243.233 g/mol
SMILES CC(CS(c1cc(N(=O)=O)ccc1)(=O)=O)=O
SPLASH splash10-0006-9000000000-5072c1ae6e47b2494a23
Source of Spectrum AD-0-2532-0
Synonyms 1-(3-nitrophenyl)sulfonyl-2-propanone 1-(3-nitrophenyl)sulfonylpropan-2-one Sulfone, (3-nitrophenyl)(2-oxopropyl)-
Wiley ID 1423491