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Methyl 3-oxo-6-octenoate, predominantly trans

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Methyl 3-oxo-6-octenoate, predominantly trans
SpectraBase Compound ID GR4Yw2hUNlW
InChI InChI=1S/C9H14O3/c1-3-4-5-6-8(10)7-9(11)12-2/h3-4H,5-7H2,1-2H3/b4-3+
InChIKey KEFBZRDCTCSBIN-ONEGZZNKSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B07IJQsKezb
Name Methyl 3-oxo-6-octenoate, predominantly trans
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 344540
CAS Registry Number 110874-83-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI 1S/C9H14O3/c1-3-4-5-6-8(10)7-9(11)12-2/h3-4H,5-7H2,1-2H3/b4-3+
InChIKey KEFBZRDCTCSBIN-ONEGZZNKSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_007149