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Dimethyl 3-methylglutaconate, mixture of cis and trans

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Dimethyl 3-methylglutaconate, mixture of cis and trans
SpectraBase Compound ID K9Giaao1Y0t
InChI InChI=1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3/b6-4+
InChIKey GBQBEQOEGMZCOH-GQCTYLIASA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7bKOvtC2E6a
Name Dimethyl 3-methylglutaconate, mixture of cis and trans
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 186597
CAS Registry Number 52313-87-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3/b6-4+
InChIKey GBQBEQOEGMZCOH-GQCTYLIASA-N
Observed nucleus 1H
Purity 95%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_002384