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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 15HM9GXoODN
Name Caprylic acid ET
CAS Registry Number 106-32-1
Classification Fatty acid
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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
SMILES C(=O)(OCC)CCCCCCC
SPLASH splash10-000i-9600000000-b9b53897dc37df01f1ab
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5398