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Tridecyl decanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Tridecyl decanoate
SpectraBase Compound ID 2mSSuWbzQcb
InChI InChI=1S/C23H46O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-25-23(24)21-19-17-15-10-8-6-4-2/h3-22H2,1-2H3
InChIKey JFOWPZXGNKSOTH-UHFFFAOYSA-N
Mol Weight 354.6 g/mol
Molecular Formula C23H46O2
Exact Mass 354.349781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jvsd6c3m24s
Name Tridecyl decanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.349780719 u
Formula C23H46O2
InChI InChI=1S/C23H46O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-25-23(24)21-19-17-15-10-8-6-4-2/h3-22H2,1-2H3
InChIKey JFOWPZXGNKSOTH-UHFFFAOYSA-N
Molecular Weight 354.619 g/mol
SMILES C(CCCCCCCCC)(=O)OCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812034