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phenyl (8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)acetate
SpectraBase Compound ID KoTyllYx6c
InChI InChI=1S/C21H19NO3S3/c1-21(2)19-18(20(26)28-27-19)15-11-14(24-3)9-10-16(15)22(21)12-17(23)25-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKey XTAOFQIODJXCLI-UHFFFAOYSA-N
Mol Weight 429.57 g/mol
Molecular Formula C21H19NO3S3
Exact Mass 429.052707 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KpvAqfdktML
Name phenyl (8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)acetate
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/C21H19NO3S3/c1-21(2)19-18(20(26)28-27-19)15-11-14(24-3)9-10-16(15)22(21)12-17(23)25-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKey XTAOFQIODJXCLI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1234
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: UZI/7114075; UBI_ID: UBI-001235
Temperature 308 °C