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Butyl 6-methylheptanoate
SpectraBase Compound ID Epr10GxpNqh
InChI InChI=1S/C12H24O2/c1-4-5-10-14-12(13)9-7-6-8-11(2)3/h11H,4-10H2,1-3H3
InChIKey SZZALKHHJLTNEF-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7NyjHPaHrYL
Name Butyl 6-methylheptanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.177630011 u
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-4-5-10-14-12(13)9-7-6-8-11(2)3/h11H,4-10H2,1-3H3
InChIKey SZZALKHHJLTNEF-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES CC(CCCCC(OCCCC)=O)C