Debug Info

object
{15}
_id
:
CyLa1Z0qedy
spectrumID
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CyLa1Z0qedy
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:109119:1
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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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1735074081058
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1-Phenyl-1-heptyn-3-amine
SpectraBase Compound ID 40ceTVFS9Hb
InChI InChI=1S/C13H17N/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,13H,2-3,9,14H2,1H3
InChIKey KPRVQOIZGQUZOM-UHFFFAOYSA-N
Mol Weight 187.29 g/mol
Molecular Formula C13H17N
Exact Mass 187.1361 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyLa1Z0qedy
Name 1-Phenyl-1-heptyn-3-amine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N
InChI InChI=1S/C13H17N/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,13H,2-3,9,14H2,1H3
InChIKey KPRVQOIZGQUZOM-UHFFFAOYSA-N
Molecular Weight 187.286 g/mol
SMILES NC(C#Cc1ccccc1)CCCC
SPLASH splash10-001i-0900000000-431219cbdf2cb92289ff
Source of Spectrum QF-9-2809-7
Synonyms 1-Butyl-3-phenyl-2-propynylamine
Wiley ID 1558616
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