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Dimethyl 2-methylhexanedioate
SpectraBase Compound ID GsOwtf3OQav
InChI InChI=1S/C9H16O4/c1-7(9(11)13-3)5-4-6-8(10)12-2/h7H,4-6H2,1-3H3
InChIKey NWQGXNKQFIEUPY-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kix7Mt1sgA
Name Dimethyl 2-methylhexanedioate
Alternate Name(s) 2-Methyladipic acid dimethyl ester 2-Methylhexanedioic acid dimethyl ester Dimethyl 2-methylhexane-1,6-dioate Dimethyl-2-methyl adipate
CAS Registry Number 19780-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-7(9(11)13-3)5-4-6-8(10)12-2/h7H,4-6H2,1-3H3
InChIKey NWQGXNKQFIEUPY-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES C(=O)(OC)C(C)CCCC(=O)OC
SPLASH splash10-0ar9-9400000000-2fe73d9c5f7185f38454
Wiley ID 1487383