Debug Info

object
{15}
_id
:
Fu4kfVYxE9C
spectrumID
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Fu4kfVYxE9C
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:569500:1
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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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1726981626304
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N-[1,3-Bis(cyclohexylamino)-3-phenylprop-2-enylidene]cyclohexanaminium bromide
SpectraBase Compound ID 2HlaiJ13AOo
InChI InChI=1S/C27H41N3.BrH/c1-5-13-22(14-6-1)26(28-23-15-7-2-8-16-23)21-27(29-24-17-9-3-10-18-24)30-25-19-11-4-12-20-25;/h1,5-6,13-14,21,23-25,28H,2-4,7-12,15-20H2,(H,29,30);1H/b26-21+;
InChIKey WREPOSPEVJMZJM-HCPJHKKFSA-N
Mol Weight 488.6 g/mol
Molecular Formula C27H42BrN3
Exact Mass 487.256211 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fu4kfVYxE9C
Name N-[1,3-Bis(cyclohexylamino)-3-phenylprop-2-enylidene]cyclohexanaminium bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42BrN3
InChI InChI=1S/C27H41N3.BrH/c1-5-13-22(14-6-1)26(28-23-15-7-2-8-16-23)21-27(29-24-17-9-3-10-18-24)30-25-19-11-4-12-20-25;/h1,5-6,13-14,21,23-25,28H,2-4,7-12,15-20H2,(H,29,30);1H/b26-21+;
InChIKey WREPOSPEVJMZJM-HCPJHKKFSA-N
Molecular Weight 488.558 g/mol
SMILES [Br-].[NH+](=C(\C=C\(NC1CCCCC1)c1ccccc1)NC1CCCCC1)C1CCCCC1
SPLASH splash10-0a4i-9402000000-9e3726003cfa5120375f
Source of Spectrum U1-2010-308-5o
Wiley ID 1663733
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