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Anthracene-9,10(9H,10H)-dione, 2-(1-pyrrolidinylsulfonyl)-
SpectraBase Compound ID E4JLuGHZm7e
InChI InChI=1S/C18H15NO4S/c20-17-13-5-1-2-6-14(13)18(21)16-11-12(7-8-15(16)17)24(22,23)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2
InChIKey VQCZGRFJYQRACX-UHFFFAOYSA-N
Mol Weight 341.38 g/mol
Molecular Formula C18H15NO4S
Exact Mass 341.072179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EnJWQeR2raH
Name Anthracene-9,10(9H,10H)-dione, 2-(1-pyrrolidinylsulfonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 341.072179137 u
Formula C18H15NO4S
InChI InChI=1S/C18H15NO4S/c20-17-13-5-1-2-6-14(13)18(21)16-11-12(7-8-15(16)17)24(22,23)19-9-3-4-10-19/h1-2,5-8,11H,3-4,9-10H2
InChIKey VQCZGRFJYQRACX-UHFFFAOYSA-N
Molecular Weight 341.381 g/mol
SMILES C1(=CC=C2C(=C1)C(C1=CC=CC=C1C2=O)=O)S(N1CCCC1)(=O)=O