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nonan-2-yl docosanoate
SpectraBase Compound ID 3Z8XRayQlYd
InChI InChI=1S/C31H62O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31(32)33-30(3)28-26-24-9-7-5-2/h30H,4-29H2,1-3H3
InChIKey OELJLDMBKMFHRE-UHFFFAOYSA-N
Mol Weight 466.8 g/mol
Molecular Formula C31H62O2
Exact Mass 466.474981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WEiWXyvUNB
Name nonan-2-yl docosanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H62O2
InChI InChI=1S/C31H62O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31(32)33-30(3)28-26-24-9-7-5-2/h30H,4-29H2,1-3H3
InChIKey OELJLDMBKMFHRE-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.phytochem.2016.05.003
Molecular Weight 466.835 g/mol
SMILES C(CCCCCCCCCCCCCCC(=O)OC(C)CCCCCCC)CCCCCC
SPLASH splash10-0a4i-9200000000-32a9e0d070fce6f1b38c
Source of Spectrum Radu C. Racovita, et al. Phytochemistry, 10.1016/j.phytochem.2016.05.003
Wiley ID 1815238