Debug Info

object
{15}
_id
:
KN9UM5NaDN6
spectrumID
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KN9UM5NaDN6
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:424594:1
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properties
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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1735074081058
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2-(4-(8-Chloro-3,7-dimethylocta-2(e),6(e)-dienyl)-1,3,3-trimethyl-1-cyclohexen-2-yl)acetonitrile
SpectraBase Compound ID Lt6RB4BMi21
InChI InChI=1S/C21H32ClN/c1-16(7-6-8-17(2)15-22)9-11-19-12-10-18(3)20(13-14-23)21(19,4)5/h8-9,19H,6-7,10-13,15H2,1-5H3
InChIKey XCFXEBPOEFTTEK-UHFFFAOYSA-N
Mol Weight 333.9 g/mol
Molecular Formula C21H32ClN
Exact Mass 333.222328 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KN9UM5NaDN6
Name 2-(4-(8-Chloro-3,7-dimethylocta-2(e),6(e)-dienyl)-1,3,3-trimethyl-1-cyclohexen-2-yl)acetonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32ClN
InChI InChI=1S/C21H32ClN/c1-16(7-6-8-17(2)15-22)9-11-19-12-10-18(3)20(13-14-23)21(19,4)5/h8-9,19H,6-7,10-13,15H2,1-5H3
InChIKey XCFXEBPOEFTTEK-UHFFFAOYSA-N
Molecular Weight 333.947 g/mol
SMILES C(Cl)C(C)=CCCC(C)=CCC1CCC(=C(C1(C)C)CC#N)C
SPLASH splash10-0229-3900000000-35e48941f385b9ab996e
Source of Spectrum SRH-2022-4841-0
Wiley ID 1826971
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