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tert-Butyl 3,6,6-trimethyl-5-oxoheptanoate
SpectraBase Compound ID EeNmWgN3P9n
InChI InChI=1S/C14H26O3/c1-10(8-11(15)13(2,3)4)9-12(16)17-14(5,6)7/h10H,8-9H2,1-7H3
InChIKey MVYWRZZPWFMGKM-UHFFFAOYSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cjp21ON6pVB
Name tert-Butyl 3,6,6-trimethyl-5-oxoheptanoate
Alternate Name(s) 3,6,6-trimethyl-5-oxoheptanoic acid tert-butyl ester 5-keto-3,6,6-trimethyl-enanthic acid tert-butyl ester tert-butyl 3,6,6-trimethyl-5-oxidanylidene-heptanoate
Comments Less than 3 mono-isotopic peaks
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Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-10(8-11(15)13(2,3)4)9-12(16)17-14(5,6)7/h10H,8-9H2,1-7H3
InChIKey MVYWRZZPWFMGKM-UHFFFAOYSA-N
Molecular Weight 242.359 g/mol
SMILES C(CC(CC(C(C)(C)C)=O)C)(=O)OC(C)(C)C
SPLASH splash10-004i-0900000000-67090f70ac0c1cca66d1
Source of Spectrum SO-0-652-4
Wiley ID 1542364