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3-thiazolidineacetamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5Z)-
SpectraBase Compound ID GoXhNCgzdVm
InChI InChI=1S/C18H16N2O4S3/c21-13-4-3-11(8-14(13)22)5-6-19-16(23)10-20-17(24)15(27-18(20)25)9-12-2-1-7-26-12/h1-4,7-9,21-22H,5-6,10H2,(H,19,23)/b15-9-
InChIKey ICOZDNDPCSDKKI-DHDCSXOGSA-N
Mol Weight 420.52 g/mol
Molecular Formula C18H16N2O4S3
Exact Mass 420.027221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JJoZwQGaKN8
Name 3-Thiazolidineacetamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.027220521 u
Formula C18H16N2O4S3
InChI InChI=1S/C18H16N2O4S3/c21-13-4-3-11(8-14(13)22)5-6-19-16(23)10-20-17(24)15(27-18(20)25)9-12-2-1-7-26-12/h1-4,7-9,21-22H,5-6,10H2,(H,19,23)/b15-9-
InChIKey ICOZDNDPCSDKKI-DHDCSXOGSA-N
Molecular Weight 420.516 g/mol
SMILES OC1=CC(=CC=C1O)CCNC(CN1C(S\C(C1=O)=C\C=1SC=CC1)=S)=O