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Hexadecyl nonanoate

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

Hexadecyl nonanoate
SpectraBase Compound ID JxuRD01aIYN
InChI InChI=1S/C25H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-27-25(26)23-21-19-10-8-6-4-2/h3-24H2,1-2H3
InChIKey FRYYDDOUGYKZSA-UHFFFAOYSA-N
Mol Weight 382.7 g/mol
Molecular Formula C25H50O2
Exact Mass 382.381081 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cb79083uTEH
Name Hexadecyl nonanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.381080848 u
Formula C25H50O2
InChI InChI=1S/C25H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-27-25(26)23-21-19-10-8-6-4-2/h3-24H2,1-2H3
InChIKey FRYYDDOUGYKZSA-UHFFFAOYSA-N
Molecular Weight 382.673 g/mol
SMILES C(CCCCCCCC)(=O)OCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830171