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3-(2-CYCLOHEXENYLIDENEMETHYL)-4-PENTANOLIDE (ISOMER MIXTURE)
SpectraBase Compound ID 6qd6EnT92dW
InChI InChI=1S/C12H16O2/c1-9-11(8-12(13)14-9)7-10-5-3-2-4-6-10/h3,5,7,9,11H,2,4,6,8H2,1H3/b10-7-/t9-,11-/m0/s1
InChIKey AFOLOOYWBBBDOP-YHQIDKOESA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID OaXvi5nY74
Name 3-(2-CYCLOHEXENYLIDENEMETHYL)-4-PENTANOLIDE (ISOMER MIXTURE)
Comments XA
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9-11(8-12(13)14-9)7-10-5-3-2-4-6-10/h3,5,7,9,11H,2,4,6,8H2,1H3/b10-7-/t9-,11-/m0/s1
InChIKey AFOLOOYWBBBDOP-YHQIDKOESA-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