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2-Amyl-3,6-diketo-enanthic acid methyl ester
SpectraBase Compound ID 9F3tuvCzowH
InChI InChI=1S/C13H22O4/c1-4-5-6-7-11(13(16)17-3)12(15)9-8-10(2)14/h11H,4-9H2,1-3H3
InChIKey QKWWSQHGIKZKQH-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UJuNfEBIlW
Name 2-Amyl-3,6-diketo-enanthic acid methyl ester
Alternate Name(s) 3,6-Dioxo-2-pentylheptanoic acid methyl ester Methyl 3,6-bis(oxidanylidene)-2-pentyl-heptanoate Methyl 3,6-dioxo-2-pentyl-heptanoate
CAS Registry Number 68776-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-5-6-7-11(13(16)17-3)12(15)9-8-10(2)14/h11H,4-9H2,1-3H3
InChIKey QKWWSQHGIKZKQH-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES C(C(=O)OC)(C(=O)CCC(=O)C)CCCCC
SPLASH splash10-0005-9100000000-35c511c0852f9cf09877
Source of Spectrum I-56-2303-0
Wiley ID 1244926