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Octadecanoic acid
SpectraBase Compound ID ITpqoQGWENW
InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
InChIKey QIQXTHQIDYTFRH-UHFFFAOYSA-N
Mol Weight 284.5 g/mol
Molecular Formula C18H36O2
Exact Mass 284.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HVXP3SQHE8
Name Stearic acid
CAS Registry Number 57-11-4
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 284.271530397 u
Formula C18H36O2
InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
InChIKey QIQXTHQIDYTFRH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 284.484 g/mol
Nominal Mass 284 u
Quality 987
Retention Index 2180
SMILES OC(CCCCCCCCCCCCCCCCC)=O
SPLASH splash10-06xx-9100000000-0d75a279b197b0d62c2f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Octadecanoic acid
Technique GC/MS
Wiley ID DD2024_030020