Debug Info

object
{15}
_id
:
CcYtDagomfp
spectrumID
:
CcYtDagomfp
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMSL3X:99364:1
hasStructureAssignments
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properties
{10}
analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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Ethyl 6,7-Dichloro-3-(cyanomethyl)-1-methyl-1H-indole-2-carboxylate
SpectraBase Compound ID 8iGleQaExVJ
InChI InChI=1S/C14H12Cl2N2O2/c1-3-20-14(19)13-9(6-7-17)8-4-5-10(15)11(16)12(8)18(13)2/h4-5H,3,6H2,1-2H3
InChIKey NNNBKCSWIMARKO-UHFFFAOYSA-N
Mol Weight 311.17 g/mol
Molecular Formula C14H12Cl2N2O2
Exact Mass 310.027583 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcYtDagomfp
Name Ethyl 6,7-Dichloro-3-(cyanomethyl)-1-methyl-1H-indole-2-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12Cl2N2O2
InChI InChI=1S/C14H12Cl2N2O2/c1-3-20-14(19)13-9(6-7-17)8-4-5-10(15)11(16)12(8)18(13)2/h4-5H,3,6H2,1-2H3
InChIKey NNNBKCSWIMARKO-UHFFFAOYSA-N
Molecular Weight 311.168 g/mol
SMILES c1([n](c2c(c1CC#N)ccc(c2Cl)Cl)C)C(=O)OCC
SPLASH splash10-01q9-0095000000-b8a1d36de4b71a25daf4
Source of Spectrum F4-42-3851-6a
Wiley ID 1674629
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