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object
{15}
_id
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CqDioNELt7G
spectrumID
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CqDioNELt7G
cost
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specType
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8388608
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dbLocation
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NY2X:124923:1
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properties
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analyticalTechnique
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1H NMR
analyticalTechniqueLongName
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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{[3-(4-methoxyphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
SpectraBase Compound ID LyRDyT1Sg1K
InChI InChI=1S/C18H16N2O4S2/c1-24-11-7-5-10(6-8-11)20-17(23)15-12-3-2-4-13(12)26-16(15)19-18(20)25-9-14(21)22/h5-8H,2-4,9H2,1H3,(H,21,22)
InChIKey WOINBLVENCHYNM-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C18H16N2O4S2
Exact Mass 388.055149 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CqDioNELt7G
Name {[3-(4-methoxyphenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H16N2O4S2/c1-24-11-7-5-10(6-8-11)20-17(23)15-12-3-2-4-13(12)26-16(15)19-18(20)25-9-14(21)22/h5-8H,2-4,9H2,1H3,(H,21,22)
InChIKey WOINBLVENCHYNM-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11936
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 800791; Labnumber: AE95-477; VK_ID: VK-011941
Temperature 318 °C
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