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Methyl 3-[(1'-oxo-3'-methyl-2'-penten-1'-yl)oxy]-4,5-bis[(1"-oxo-3"-methyl-2'-buten-1"-yl)oxy]-cyclohex-1-ene-1-carboxylate

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Methyl 3-[(1'-oxo-3'-methyl-2'-penten-1'-yl)oxy]-4,5-bis[(1"-oxo-3"-methyl-2'-buten-1"-yl)oxy]-cyclohex-1-ene-1-carboxylate
SpectraBase Compound ID GIfuPZmglfa
InChI InChI=1S/C24H32O8/c1-8-16(6)11-22(27)31-19-13-17(24(28)29-7)12-18(30-20(25)9-14(2)3)23(19)32-21(26)10-15(4)5/h9-11,13,18-19,23H,8,12H2,1-7H3/b16-11+
InChIKey IPSCKKLQXMPZFQ-LFIBNONCSA-N
Mol Weight 448.5 g/mol
Molecular Formula C24H32O8
Exact Mass 448.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID f697u4ClDU
Name Methyl 3-[(1'-oxo-3'-methyl-2'-penten-1'-yl)oxy]-4,5-bis[(1''-oxo-3''-methyl-2'-buten-1''-yl)oxy]-cyclohex-1-ene-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.209717982 u
Formula C24H32O8
InChI InChI=1S/C24H32O8/c1-8-16(6)11-22(27)31-19-13-17(24(28)29-7)12-18(30-20(25)9-14(2)3)23(19)32-21(26)10-15(4)5/h9-11,13,18-19,23H,8,12H2,1-7H3/b16-11+
InChIKey IPSCKKLQXMPZFQ-LFIBNONCSA-N
Molecular Weight 448.512 g/mol
SMILES C1(=CC(OC(\C=C\(CC)C)=O)C(C(C1)OC(C=C(C)C)=O)OC(C=C(C)C)=O)C(=O)OC