Debug Info

object
{15}
_id
:
LGnSo2kaF5H
spectrumID
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LGnSo2kaF5H
cost
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specType
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131072
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dbLocation
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WMSL3X:55012:1
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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spectralOutlier
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compound
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lastUpdated
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N-methyl-N-[3-(4-methylcyclohexen-3-yl)-butyl]-aniline
SpectraBase Compound ID 1N92rMmofWV
InChI InChI=1S/C18H27N/c1-15-9-11-17(12-10-15)16(2)13-14-19(3)18-7-5-4-6-8-18/h4-9,16-17H,10-14H2,1-3H3
InChIKey HBKZUXMEQSTDEX-UHFFFAOYSA-N
Mol Weight 257.42 g/mol
Molecular Formula C18H27N
Exact Mass 257.21435 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGnSo2kaF5H
Name N-methyl-N-[3-(4-methylcyclohexen-3-yl)-butyl]-aniline
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27N
InChI InChI=1S/C18H27N/c1-15-9-11-17(12-10-15)16(2)13-14-19(3)18-7-5-4-6-8-18/h4-9,16-17H,10-14H2,1-3H3
InChIKey HBKZUXMEQSTDEX-UHFFFAOYSA-N
Molecular Weight 257.421 g/mol
SMILES C1=C(CCC(C1)C(CCN(c1ccccc1)C)C)C
SPLASH splash10-0a4i-0090000000-1dd4411dbfd7f2147140
Source of Spectrum F2-45-1526-13
Wiley ID 1703301
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