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I-Propyl 15-methylhexadecanoate

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I-Propyl 15-methylhexadecanoate
SpectraBase Compound ID KJhmUvBpdZ7
InChI InChI=1S/C20H40O2/c1-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-20(21)22-19(3)4/h18-19H,5-17H2,1-4H3
InChIKey XLAHONMXRAUXAX-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 LtgxGTUtvdb
Name I-Propyl 15-methylhexadecanoate
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/c1-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-20(21)22-19(3)4/h18-19H,5-17H2,1-4H3
InChIKey XLAHONMXRAUXAX-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(OC(=O)CCCCCCCCCCCCCC(C)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940283