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3-thiazolidineacetic acid, 5-(2H-1-benzopyran-3-ylmethylene)-alpha-[2-(methylthio)ethyl]-4-oxo-2-thioxo-, (5E)-
SpectraBase Compound ID 9BGVqhkKoqS
InChI InChI=1S/C18H17NO4S3/c1-25-7-6-13(17(21)22)19-16(20)15(26-18(19)24)9-11-8-12-4-2-3-5-14(12)23-10-11/h2-5,8-9,13H,6-7,10H2,1H3,(H,21,22)/b15-9+
InChIKey PKAOWGZIAVZOMF-OQLLNIDSSA-N
Mol Weight 407.52 g/mol
Molecular Formula C18H17NO4S3
Exact Mass 407.031972 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6azSWOEt1Kf
Name 3-thiazolidineacetic acid, 5-(2H-1-benzopyran-3-ylmethylene)-alpha-[2-(methylthio)ethyl]-4-oxo-2-thioxo-, (5E)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H17NO4S3/c1-25-7-6-13(17(21)22)19-16(20)15(26-18(19)24)9-11-8-12-4-2-3-5-14(12)23-10-11/h2-5,8-9,13H,6-7,10H2,1H3,(H,21,22)/b15-9+
InChIKey PKAOWGZIAVZOMF-OQLLNIDSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4038
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F19888; Labnumber: EXGOR1-18481