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4-isopropylsuberic acid dimethyl ester
SpectraBase Compound ID KrOCJf34x2Y
InChI InChI=1S/C13H24O4/c1-10(2)11(8-9-13(15)17-4)6-5-7-12(14)16-3/h10-11H,5-9H2,1-4H3
InChIKey DJAWFTXIFMKLIO-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3e2ttNkBawY
Name OCTAN-1,8-DIOIC ACID, 4-ISOPROPYL-, DIMETHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-10(2)11(8-9-13(15)17-4)6-5-7-12(14)16-3/h10-11H,5-9H2,1-4H3
InChIKey DJAWFTXIFMKLIO-UHFFFAOYSA-N
Instrument Name CH5
Molecular Weight 244.1668
SMILES COC(CCC(CCCC(OC)=O)C(C)C)=O
SPLASH splash10-007c-9700000000-457e81e64cf5cc44265b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany