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Octanoic acid ethyl ester
SpectraBase Compound ID H2hnqjDCsny
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey YYZUSRORWSJGET-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGf71qKG3Si
Name Ethylcaprylate
CAS Registry Number 106-32-1
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 172.146329882 u
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChIKey YYZUSRORWSJGET-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 172.268 g/mol
Nominal Mass 172 u
Quality 990
Retention Index 1190
SMILES C(CCCCCCC)(OCC)=O
SPLASH splash10-059i-9200000000-20555d420e2d800adfb5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Ethyl octanoate
Technique GC/MS
Wiley ID DD2024_030730