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Methyl 6-hydroxy-3,7-dimethylnonadecanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl 6-hydroxy-3,7-dimethylnonadecanoate
SpectraBase Compound ID ET45aG00BI0
InChI InChI=1S/C22H44O3/c1-5-6-7-8-9-10-11-12-13-14-15-20(3)21(23)17-16-19(2)18-22(24)25-4/h19-21,23H,5-18H2,1-4H3
InChIKey JCZOLQYWWRNLKD-UHFFFAOYSA-N
Mol Weight 356.6 g/mol
Molecular Formula C22H44O3
Exact Mass 356.329045 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Aot947jFFfT
Name Methyl-6-hydroxy-3,7-dimethylnonadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.329045274 u
Formula C22H44O3
InChI InChI=1S/C22H44O3/c1-5-6-7-8-9-10-11-12-13-14-15-20(3)21(23)17-16-19(2)18-22(24)25-4/h19-21,23H,5-18H2,1-4H3
InChIKey JCZOLQYWWRNLKD-UHFFFAOYSA-N
Molecular Weight 356.591 g/mol
SMILES C(=O)(CC(CCC(C(CCCCCCCCCCCC)C)O)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921126