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Ethyl stearate
SpectraBase Compound ID 96mls5BWcrZ
InChI InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
InChIKey MVLVMROFTAUDAG-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 GN7rMZlImS9
Name Octadecanoic acid ethyl ester
CAS Registry Number 111-61-5
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
InChIKey MVLVMROFTAUDAG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 312.538 g/mol
Nominal Mass 312 u
Quality 997
Retention Index 2191
SMILES C(CCCCCCCCCCCCCCCCC)(OCC)=O
SPLASH splash10-0k9i-9310000000-e5f5007d042a338c93a6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms ethyl octadecanoate
Technique GC/MS
Wiley ID DD2024_009866