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2-Methylbutyl heptanoate
SpectraBase Compound ID 2Vt9STDfhGn
InChI InChI=1S/C12H24O2/c1-4-6-7-8-9-12(13)14-10-11(3)5-2/h11H,4-10H2,1-3H3
InChIKey NEYFHTHRJVQMPA-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 LSbY6aCkRxC
Name 2-Methylbutyl heptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-4-6-7-8-9-12(13)14-10-11(3)5-2/h11H,4-10H2,1-3H3
InChIKey NEYFHTHRJVQMPA-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.77
Molecular Weight 200.322 g/mol
SMILES CC(COC(CCCCCC)=O)CC
SPLASH splash10-03k9-9700000000-100d8d4317c0013e4736
Source of Spectrum BJO-14-SM5-34
Wiley ID 1845841