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N-Propyl 15-methyl-hexadecanoate

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

N-Propyl 15-methyl-hexadecanoate
SpectraBase Compound ID JsJeIpoHEzz
InChI InChI=1S/C20H40O2/c1-4-18-22-20(21)17-15-13-11-9-7-5-6-8-10-12-14-16-19(2)3/h19H,4-18H2,1-3H3
InChIKey UKDXSSXBMJMGTA-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EJgCTn503oc
Name N-Propyl 15-methyl-hexadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-4-18-22-20(21)17-15-13-11-9-7-5-6-8-10-12-14-16-19(2)3/h19H,4-18H2,1-3H3
InChIKey UKDXSSXBMJMGTA-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(CCCCCCCCCCCCC(C)C)C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959261