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Heptanedioic acid, 4-acetyl-4-formyl-, dimethyl ester
SpectraBase Compound ID 2mIK7KQyzB5
InChI InChI=1S/C12H18O6/c1-9(14)12(8-13,6-4-10(15)17-2)7-5-11(16)18-3/h8H,4-7H2,1-3H3
InChIKey YGJPJOPNGCRRHX-UHFFFAOYSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdRymc9K4Iz
Name Heptanedioic acid, 4-acetyl-4-formyl-, dimethyl ester
Alternate Name(s) Dimethyl 4-acetyl-4-formylheptanedioate Methyl 4-formyl-4-acetyl-heptan-1,7-dioate
CAS Registry Number 82958-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-9(14)12(8-13,6-4-10(15)17-2)7-5-11(16)18-3/h8H,4-7H2,1-3H3
InChIKey YGJPJOPNGCRRHX-UHFFFAOYSA-N
Molecular Weight 258.270 g/mol
SMILES C(C(=O)C)(CCC(=O)OC)(CCC(=O)OC)C=O
SPLASH splash10-00aa-0900000000-7810462093805586a6c8
Source of Spectrum F-46-5302-9
Wiley ID 1261416