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ADIPIC ACID, 3-OXO-, DIMETHYL ESTER

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ADIPIC ACID, 3-OXO-, DIMETHYL ESTER
SpectraBase Compound ID HIUsj4zYdcu
InChI InChI=1S/C8H12O5/c1-12-7(10)4-3-6(9)5-8(11)13-2/h3-5H2,1-2H3
InChIKey CMGTZMRSJJKAPM-UHFFFAOYSA-N
Mol Weight 188.18 g/mol
Molecular Formula C8H12O5
Exact Mass 188.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 474TQdqWWDc
Name Dimethyl beta-ketoadipate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number D167606
CAS Registry Number 5457-44-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O5
InChI InChI=1S/C8H12O5/c1-12-7(10)4-3-6(9)5-8(11)13-2/h3-5H2,1-2H3
InChIKey CMGTZMRSJJKAPM-UHFFFAOYSA-N
Observed nucleus 13C
Purity 96%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Dimethyl 3-oxohexanedioate CMGTZMRSJJKAPM-UHFFFAOYSA-N
Wiley ID SIAL_13CNMR_011450