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Butan-3-one-2-yl butanoate

View entire compound with spectra: 2 NMR, 5 FTIR, and 2 MS (GC)

Butan-3-one-2-yl butanoate
SpectraBase Compound ID 8eqMro0wHJi
InChI InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
InChIKey LJDWJXUIGKSETE-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AYM2lWchZrf
Name Butan-3-one-2-yl butanoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W333204
CAS Registry Number 84642-61-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
InChIKey LJDWJXUIGKSETE-UHFFFAOYSA-N
Observed nucleus 1H
Purity >=98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_013060