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object
{15}
_id
:
EZuK609K59c
spectrumID
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EZuK609K59c
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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NCX:51864:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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compound
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1735074081058
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5-ANILINO-1,3-DIMETHYL-2,3,4,R-5,T-5A,10,T-10A,11-OCTAHYDRO-1H-CYCLOHEPTO-[G]-QUINAZOLINE-2,4,10-TRIONE
SpectraBase Compound ID DsdHXLt2w4b
InChI InChI=1S/C21H21N3O3/c1-23-16-12-15-14(10-6-7-11-17(15)25)19(22-13-8-4-3-5-9-13)18(16)20(26)24(2)21(23)27/h3-11,14-15,19,22H,12H2,1-2H3/t14-,15-,19+/m1/s1
InChIKey ATSZHKYTDZCDSM-CLCXKQKWSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZuK609K59c
Name 5-ANILINO-1,3-DIMETHYL-2,3,4,R-5,T-5A,10,T-10A,11-OCTAHYDRO-1H-CYCLOHEPTO-[G]-QUINAZOLINE-2,4,10-TRIONE
Compound Number 6A
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H21N3O3/c1-23-16-12-15-14(10-6-7-11-17(15)25)19(22-13-8-4-3-5-9-13)18(16)20(26)24(2)21(23)27/h3-11,14-15,19,22H,12H2,1-2H3/t14-,15-,19+/m1/s1
InChIKey ATSZHKYTDZCDSM-CLCXKQKWSA-N
Literature Reference K.IKUNO,T.KOBAYASHI,T.HARADA,M.NOGUCHI,A.KAKEHI J.CHEM.SOC.PERKIN-1,1445(1995)
Solvent Chloroform-d
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