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2-carbethoxyhexanoic acid
SpectraBase Compound ID JrMefJFgH53
InChI InChI=1S/C9H16O4/c1-3-5-6-7(8(10)11)9(12)13-4-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey IGGGSAHINVSGTM-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qEIUAVY4Sp
Name MALONIC ACID, BUTYL-, MONOETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-3-5-6-7(8(10)11)9(12)13-4-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey IGGGSAHINVSGTM-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 188.1044
SMILES OC(=O)C(CCCC)C(=O)OCC
SPLASH splash10-053r-9700000000-eb349fa655716e2ead98
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany