Debug Info

object
{15}
_id
:
DaJBOlJlyMp
spectrumID
:
DaJBOlJlyMp
cost
:
1
specType
:
131072
xnmrNucleus
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0
dbLocation
:
WMS3X:250897:1
hasStructureAssignments
:
false
properties
{10}
analyticalTechnique
:
MS (GC)
analyticalTechniqueLongName
:
Mass Spectrum (GC)
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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RAC-1-CYANOACETYL-5-HYDROXY-3-METHYL-5-DICHLOROMETHYL-4,5-DIHYDRO-1H-PYRAZOLE
SpectraBase Compound ID 5kIkBZjC4jR
InChI InChI=1S/C8H9Cl2N3O2/c1-5-4-8(15,7(9)10)13(12-5)6(14)2-3-11/h7,15H,2,4H2,1H3
InChIKey XDBMLVSQSQEBMK-UHFFFAOYSA-N
Mol Weight 250.08 g/mol
Molecular Formula C8H9Cl2N3O2
Exact Mass 249.007182 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaJBOlJlyMp
Name 1-(Cyanoacetyl)-5-hydroxy-3-methyl-5-(dichloromethyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9Cl2N3O2
InChI InChI=1S/C8H9Cl2N3O2/c1-5-4-8(15,7(9)10)13(12-5)6(14)2-3-11/h7,15H,2,4H2,1H3
InChIKey XDBMLVSQSQEBMK-UHFFFAOYSA-N
Molecular Weight 250.085 g/mol
SMILES OC1(N(N=C(C1)C)C(CC#N)=O)C(Cl)Cl
SPLASH splash10-00kb-9500000000-95672ceac8f26bab2e8d
Source of Spectrum AH-139-1053-7b
Wiley ID 1695750
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