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3-(3-PROPYL-1,3-HEXADIENYL)-4-PENTANOLIDE (ISOMER MIXTURE)
SpectraBase Compound ID LfvaLnN0iC8
InChI InChI=1S/C14H22O2/c1-4-6-12(7-5-2)8-9-13-10-14(15)16-11(13)3/h6,8-9,11,13H,4-5,7,10H2,1-3H3/b9-8+,12-6+/t11-,13-/m0/s1
InChIKey FJBWTYYOQMPEHD-CWPMKFCVSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrGlFBtNoIH
Name 3-(3-PROPYL-1,3-HEXADIENYL)-4-PENTANOLIDE (ISOMER MIXTURE)
Comments ##
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Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-4-6-12(7-5-2)8-9-13-10-14(15)16-11(13)3/h6,8-9,11,13H,4-5,7,10H2,1-3H3/b9-8+,12-6+/t11-,13-/m0/s1
InChIKey FJBWTYYOQMPEHD-CWPMKFCVSA-N
Instrument Name Bruker AM-300
Literature Reference A.N.KASATKIN, A.N.KULAK, R.KH.BIKTIMIROV, G.A.TOLSTIKOV, O.V.SHITIKOVA,V.R.SULTANMURATOVA (1992) Izv.Akad.Nauk SSSR(Russ. Lang.): N4, 946-954.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d