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{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid

View entire compound with spectra: 1 NMR

{[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
SpectraBase Compound ID 1m9JEMB2XUV
InChI InChI=1S/C20H20N2O4S2/c1-11-6-4-5-7-13(11)22-18(25)16-12-8-20(2,3)26-9-14(12)28-17(16)21-19(22)27-10-15(23)24/h4-7H,8-10H2,1-3H3,(H,23,24)
InChIKey ZYPWZZISSXYBOT-UHFFFAOYSA-N
Mol Weight 416.51 g/mol
Molecular Formula C20H20N2O4S2
Exact Mass 416.086449 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2qr2uvMhGdB
Name {[6,6-dimethyl-3-(2-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.086449476 u
Formula C20H20N2O4S2
InChI InChI=1S/C20H20N2O4S2/c1-11-6-4-5-7-13(11)22-18(25)16-12-8-20(2,3)26-9-14(12)28-17(16)21-19(22)27-10-15(23)24/h4-7H,8-10H2,1-3H3,(H,23,24)
InChIKey ZYPWZZISSXYBOT-UHFFFAOYSA-N
Molecular Weight 416.510 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1325
Solvent DMSO-d6
Source Vendor ID: NMR/12269592