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Methyl 3-oxo-6-octenoate, predominantly trans

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 Raman

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 39HcRXczpTX
Name Methyl 3-oxo-6-octenoate, predominantly trans
Source of Sample Aldrich
Catalog Number 344540
CAS Registry Number 110874-83-4
Classification Non-aromatic esters and lactones
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
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
Purity 97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Neat
Wiley ID SIAL_FTIR_1_7121