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ETHYL-(2RS)-[2-(2)-H]-OCTANOATE;SINGLY-LABELED
SpectraBase Compound ID JJQR458gDWN
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3/i9D
InChIKey YYZUSRORWSJGET-QOWOAITPSA-N
Mol Weight 173.27 g/mol
Molecular Formula C10H19DO2
Exact Mass 173.152607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsdfZkOlVaa
Name Ethyl (2RS)-[2-2H]octanoate
Alternate Name(s) 2-Deuteriooctanoic acid ethyl ester Ethyl 2-deuteriooctanoate
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Formula C10H19DO2
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3/i9D
InChIKey YYZUSRORWSJGET-QOWOAITPSA-N
Molecular Weight 173.274 g/mol
SMILES C(=O)(OCC)C(CCCCCC)[D]
SPLASH splash10-000i-9300000000-6a43d2a273bc498cb4b5
Source of Spectrum J-66-5652-12
Wiley ID 1535588