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cis, cis,trans-2-Methyl-3-acetoxy-4-iodo-5-methyl-5-valerolactone
SpectraBase Compound ID A65Dt4142cw
InChI InChI=1S/C9H13IO4/c1-4-8(14-6(3)11)7(10)5(2)13-9(4)12/h4-5,7-8H,1-3H3
InChIKey SMIHLEWFEVQWKY-UHFFFAOYSA-N
Mol Weight 312.1 g/mol
Molecular Formula C9H13IO4
Exact Mass 311.985854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHoMEy1tOmN
Name cis, cis,trans-2-Methyl-3-acetoxy-4-iodo-5-methyl-5-valerolactone
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13IO4
InChI InChI=1S/C9H13IO4/c1-4-8(14-6(3)11)7(10)5(2)13-9(4)12/h4-5,7-8H,1-3H3
InChIKey SMIHLEWFEVQWKY-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference Y. Tamura, M. Mizutani, Y. Furukawa, J. Am. Chem. Soc. 106, 1079 (1984).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3