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Dodecanoic acid, octyl ester

View entire compound with spectra: 5 MS (GC)

Dodecanoic acid, octyl ester
SpectraBase Compound ID 9bkRtjNoSBs
InChI InChI=1S/C20H40O2/c1-3-5-7-9-11-12-13-14-16-18-20(21)22-19-17-15-10-8-6-4-2/h3-19H2,1-2H3
InChIKey BBZAGOMQOSEWBH-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXEifqis2DQ
Name Dodecanoic acid, octyl ester
CAS Registry Number 5303-24-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-3-5-7-9-11-12-13-14-16-18-20(21)22-19-17-15-10-8-6-4-2/h3-19H2,1-2H3
InChIKey BBZAGOMQOSEWBH-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(=O)(CCCCCCCCCCC)OCCCCCCCC
SPLASH splash10-0r7l-9310000000-8f2e1201f1f1ef31ac4f
Synonyms Lauric acid octyl ester Octyl dodecanoate Octyl laurate
Wiley ID 1490247