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tert-Pentyl heptanoate
SpectraBase Compound ID 8sVtu4PuJJq
InChI InChI=1S/C12H24O2/c1-5-7-8-9-10-11(13)14-12(3,4)6-2/h5-10H2,1-4H3
InChIKey AIQRCXVWGWDEEP-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TsK9f73rGY
Name tert-Pentyl heptanoate
Alternate Name(s) 1,1-Dimethylpropyl heptanoate 2-Methylbutan-2-yl heptanoate enanthic acid tert-amyl ester Heptanoic acid 2-methylbutan-2-yl ester Heptanoic acid, 2-methyl-2-butyl ester
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Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-5-7-8-9-10-11(13)14-12(3,4)6-2/h5-10H2,1-4H3
InChIKey AIQRCXVWGWDEEP-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES C(=O)(CCCCCC)OC(C)(C)CC
SPLASH splash10-0006-9000000000-fbd40efa944097fcb815
Wiley ID 1494690