Debug Info

object
{15}
_id
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F6hliPSxWt0
spectrumID
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F6hliPSxWt0
cost
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specType
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512
xnmrNucleus
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dbLocation
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VPSS1X:93265:1
hasStructureAssignments
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properties
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analyticalTechnique
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Vapor Phase IR
analyticalTechniqueLongName
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Vapor Phase (Gas) Infrared Spectrum
isFullSpectrum
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spectralOutlier
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compound
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1735074081058
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1-Methyl-2-(tricyclo-[4.1.0.0(2,7)]-hept-1-yl)-benzene
SpectraBase Compound ID AbzHtIGKN8J
InChI InChI=1S/C14H16/c1-9-5-2-3-6-10(9)14-11-7-4-8-12(14)13(11)14/h2-3,5-6,11-13H,4,7-8H2,1H3/t11-,12+,13-,14+
InChIKey AJSBFMFQBTWSDS-KPWCQOOUSA-N
Mol Weight 184.28 g/mol
Molecular Formula C14H16
Exact Mass 184.125201 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F6hliPSxWt0
Name 1-Methyl-2-(tricyclo-[4.1.0.0(2,7)]-hept-1-yl)-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.125200515 u
Formula C14H16
InChI InChI=1S/C14H16/c1-9-5-2-3-6-10(9)14-11-7-4-8-12(14)13(11)14/h2-3,5-6,11-13H,4,7-8H2,1H3/t11-,12+,13-,14+
InChIKey AJSBFMFQBTWSDS-KPWCQOOUSA-N
Molecular Weight 184.282 g/mol
SMILES C1=CC(=C([C@]23[C@]4([C@@]3(CCC[C@@]24[H])[H])[H])C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918831
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