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(E)-9-(((E)-but-2-enoyl)oxy)-10-methyl-2-oxo-3,4,5,6,9,10-hexahydro-2H-oxecine-5,6-diyl diacetate

View entire compound with spectra: 1 NMR

(E)-9-(((E)-but-2-enoyl)oxy)-10-methyl-2-oxo-3,4,5,6,9,10-hexahydro-2H-oxecine-5,6-diyl diacetate
SpectraBase Compound ID 1Heg3XQDOyM
InChI InChI=1S/C18H24O8/c1-5-6-17(21)26-14-7-8-15(24-12(3)19)16(25-13(4)20)9-10-18(22)23-11(14)2/h5-8,11,14-16H,9-10H2,1-4H3/b6-5+,8-7+
InChIKey CRQYJLDRMGHWCI-BSWSSELBSA-N
Mol Weight 368.38 g/mol
Molecular Formula C18H24O8
Exact Mass 368.147118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gEnLInuLaH
Name (E)-9-(((E)-but-2-enoyl)oxy)-10-methyl-2-oxo-3,4,5,6,9,10-hexahydro-2H-oxecine-5,6-diyl diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.147117725 u
Formula C18H24O8
InChI InChI=1S/C18H24O8/c1-5-6-17(21)26-14-7-8-15(24-12(3)19)16(25-13(4)20)9-10-18(22)23-11(14)2/h5-8,11,14-16H,9-10H2,1-4H3/b6-5+,8-7+
InChIKey CRQYJLDRMGHWCI-BSWSSELBSA-N
Molecular Weight 368.382 g/mol
SMILES C1(OC(C)=O)C(CCC(OC(C)C(\C=C\1)OC(\C=C\C)=O)=O)OC(C)=O