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2-Octyl-2-hexyl-3-decenal

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Octyl-2-hexyl-3-decenal
SpectraBase Compound ID I6ID00eL6qv
InChI InChI=1S/C24H46O/c1-4-7-10-13-15-18-21-24(23-25,20-17-12-9-6-3)22-19-16-14-11-8-5-2/h18,21,23H,4-17,19-20,22H2,1-3H3/b21-18+
InChIKey WWJUPSORZVYLAI-DYTRJAOYSA-N
Mol Weight 350.6 g/mol
Molecular Formula C24H46O
Exact Mass 350.354866 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BSifF85G7lY
Name 2-Octyl-2-hexyl-3-decenal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.354866100 u
Formula C24H46O
InChI InChI=1S/C24H46O/c1-4-7-10-13-15-18-21-24(23-25,20-17-12-9-6-3)22-19-16-14-11-8-5-2/h18,21,23H,4-17,19-20,22H2,1-3H3/b21-18+
InChIKey WWJUPSORZVYLAI-DYTRJAOYSA-N
Molecular Weight 350.631 g/mol
SMILES C(\C=C\CCCCCC)(C=O)(CCCCCC)CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96537