Debug Info

object
{15}
_id
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GiPg9WaOm9Z
spectrumID
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GiPg9WaOm9Z
cost
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1
specType
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512
xnmrNucleus
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dbLocation
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VPSS1X:170345:1
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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2-N-Nonadec-11-enyl-4,4-dimethyloxazoline
SpectraBase Compound ID 4HAOW9x6ok1
InChI InChI=1S/C24H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(2,3)22-26-23/h10-11H,4-9,12-22H2,1-3H3/b11-10+
InChIKey WHMDHRJQLNIEHN-ZHACJKMWSA-N
Mol Weight 363.6 g/mol
Molecular Formula C24H45NO
Exact Mass 363.350115 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GiPg9WaOm9Z
Name 2-N-Nonadec-11-enyl-4,4-dimethyloxazoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.350115072 u
Formula C24H45NO
InChI InChI=1S/C24H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(2,3)22-26-23/h10-11H,4-9,12-22H2,1-3H3/b11-10+
InChIKey WHMDHRJQLNIEHN-ZHACJKMWSA-N
Molecular Weight 363.630 g/mol
SMILES C1(=NC(CO1)(C)C)CCCCCCCCCC\C=C\CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96972
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