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2,4-thiazolidinedione, 5-(1,3-benzodioxol-5-ylmethylene)-3-[(2-chlorophenyl)methyl]-, (5Z)-
SpectraBase Compound ID LJShf8IExWr
InChI InChI=1S/C18H12ClNO4S/c19-13-4-2-1-3-12(13)9-20-17(21)16(25-18(20)22)8-11-5-6-14-15(7-11)24-10-23-14/h1-8H,9-10H2/b16-8-
InChIKey XSPMYTVVBYTOON-PXNMLYILSA-N
Mol Weight 373.81 g/mol
Molecular Formula C18H12ClNO4S
Exact Mass 373.017557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yCu1G0Axmb
Name 2,4-Thiazolidinedione, 5-(1,3-benzodioxol-5-ylmethylene)-3-[(2-chlorophenyl)methyl]-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.017556740 u
Formula C18H12ClNO4S
InChI InChI=1S/C18H12ClNO4S/c19-13-4-2-1-3-12(13)9-20-17(21)16(25-18(20)22)8-11-5-6-14-15(7-11)24-10-23-14/h1-8H,9-10H2/b16-8-
InChIKey XSPMYTVVBYTOON-PXNMLYILSA-N
Molecular Weight 373.810 g/mol
SMILES C1=CC=C(CN2C(S\C(C2=O)=C\C=2C=C3OCOC3=CC2)=O)C(Cl)=C1