Debug Info

object
{15}
_id
:
JJmsErEnFbd
spectrumID
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JJmsErEnFbd
cost
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1
specType
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8388608
xnmrNucleus
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dbLocation
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NY3X:23239:1
hasStructureAssignments
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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
isFullSpectrum
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true
spectralOutlier
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compound
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1735074081058
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false

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ethyl 1-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinyl)sulfonyl]-4-piperidinecarboxylate
SpectraBase Compound ID 8gMVF8AqGBG
InChI InChI=1S/C18H23N3O6S/c1-4-27-17(23)12-7-9-21(10-8-12)28(25,26)13-5-6-15-14(11-13)16(22)20(3)18(24)19(15)2/h5-6,11-12H,4,7-10H2,1-3H3
InChIKey ZHJKQGBQNDHAIH-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C18H23N3O6S
Exact Mass 409.130757 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 JJmsErEnFbd
Name ethyl 1-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinyl)sulfonyl]-4-piperidinecarboxylate
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.130756641 u
Formula C18H23N3O6S
InChI InChI=1S/C18H23N3O6S/c1-4-27-17(23)12-7-9-21(10-8-12)28(25,26)13-5-6-15-14(11-13)16(22)20(3)18(24)19(15)2/h5-6,11-12H,4,7-10H2,1-3H3
InChIKey ZHJKQGBQNDHAIH-UHFFFAOYSA-N
Molecular Weight 409.457 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4753
Solvent DMSO-d6
Source Vendor ID: NMR/12309841
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