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Heptadecanoic acid, 3-(acetyloxy)-16-methyl-

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Heptadecanoic acid, 3-(acetyloxy)-16-methyl-
SpectraBase Compound ID 3yMHo3VEP3z
InChI InChI=1S/C20H38O4/c1-17(2)14-12-10-8-6-4-5-7-9-11-13-15-19(16-20(22)23)24-18(3)21/h17,19H,4-16H2,1-3H3,(H,22,23)
InChIKey YDAMPLFSFQVIAZ-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C20H38O4
Exact Mass 342.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EqZhTx5M0ro
Name Heptadecanoic acid, 3-(acetyloxy)-16-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.277009700 u
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-17(2)14-12-10-8-6-4-5-7-9-11-13-15-19(16-20(22)23)24-18(3)21/h17,19H,4-16H2,1-3H3,(H,22,23)
InChIKey YDAMPLFSFQVIAZ-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES C(CCCCCCCCCCCCC(CC(O)=O)OC(=O)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832593