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Butanedioic acid, [1-(acetyloxy)-1,2,2-trimethylpropyl]-, diethyl ester
SpectraBase Compound ID 38lIMFcjSyO
InChI InChI=1S/C16H28O6/c1-6-9-10-16(5,22-12(4)17)13(15(19)21-8-3)11-14(18)20-7-2/h13H,6-11H2,1-5H3
InChIKey KJQPBQCIHLIYLJ-UHFFFAOYSA-N
Mol Weight 316.39 g/mol
Molecular Formula C16H28O6
Exact Mass 316.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXKE9fpriuO
Name Butanedioic acid, [1-(acetyloxy)-1,2,2-trimethylpropyl]-, diethyl ester
Alternate Name(s) 1,2-Diethoxycarbonyl-3-acetoxy-3-methyl-heptane Diethyl 2-[1-(acetyloxy)-1-methylpentyl]succinate
CAS Registry Number 97311-86-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O6
InChI InChI=1S/C16H28O6/c1-6-9-10-16(5,22-12(4)17)13(15(19)21-8-3)11-14(18)20-7-2/h13H,6-11H2,1-5H3
InChIKey KJQPBQCIHLIYLJ-UHFFFAOYSA-N
Molecular Weight 316.394 g/mol
SMILES C(C(OC(=O)C)(CCCC)C)(C(=O)OCC)CC(=O)OCC
SPLASH splash10-00dl-0920000000-bda44b518eb3f3148c58
Source of Spectrum K-118-1350-7
Wiley ID 1316618