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Ethyl 2-{(1S,5S,6R)-5,6-Di-(4-methoxybenzyl)oxycyclohex-2-en-1-yl)propionate
SpectraBase Compound ID 4FwDgDfa987
InChI InChI=1S/C27H34O6/c1-5-31-27(28)19(2)24-7-6-8-25(32-17-20-9-13-22(29-3)14-10-20)26(24)33-18-21-11-15-23(30-4)16-12-21/h6-7,9-16,19,24-26H,5,8,17-18H2,1-4H3/t19?,24-,25-,26-/m0/s1
InChIKey GDTCZKWYWPBKOV-JPSHVYHBSA-N
Mol Weight 454.6 g/mol
Molecular Formula C27H34O6
Exact Mass 454.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dqRl0oHmLM
Name Ethyl 2-{(1S,5S,6R)-5,6-Di-(4-methoxybenzyl)oxycyclohex-2-en-1-yl)propionate
Alternate Name(s) Ethyl 2-{(1S,5S,6R)-5,6-bis[(4-methoxybenzyl)oxy]-2-cyclohexen-1-yl}propanoate Ethyl 2-{(1S,5S,6S)-5,6-Di-(4-methoxybenzyl)oxycyclohex-2-en-1-yl)propionate 2-[(1S,5S,6S)-5,6-bis[(4-methoxyphenyl)methoxy]-1-cyclohex-2-enyl]propanoic acid ethyl ester Ethyl 2-[(1S,5S,6S)-5,6-bis[(4-methoxyphenyl)methoxy]cyclohex-2-en-1-yl]propanoate
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Formula C27H34O6
InChI InChI=1S/C27H34O6/c1-5-31-27(28)19(2)24-7-6-8-25(32-17-20-9-13-22(29-3)14-10-20)26(24)33-18-21-11-15-23(30-4)16-12-21/h6-7,9-16,19,24-26H,5,8,17-18H2,1-4H3/t19?,24-,25-,26-/m0/s1
InChIKey GDTCZKWYWPBKOV-JPSHVYHBSA-N
Molecular Weight 454.563 g/mol
SMILES [C@]1([C@](OCc2ccc(cc2)OC)([C@@](OCc2ccc(cc2)OC)(CC=C1)[H])[H])(C(C(=O)OCC)C)[H]
SPLASH splash10-00di-0900000000-968c389b8506c7b8a127
Source of Spectrum F-55-2214-20
Wiley ID 837004