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(2RS,3RS,6RS,E)-Ethyl 4,6-dimethyl-7-methoxy-2-(4-methoxyphenylsulfanyl)-3-phenylethylhept-4-enoate
SpectraBase Compound ID LK3Eq5hzpPY
InChI InChI=1S/C27H36O4S/c1-6-31-27(28)26(32-24-15-13-23(30-5)14-16-24)25(21(3)18-20(2)19-29-4)17-12-22-10-8-7-9-11-22/h7-11,13-16,18,20,25-26H,6,12,17,19H2,1-5H3/b21-18+
InChIKey HAFQLWZZJJQLRW-DYTRJAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O4S
Exact Mass 456.233431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cw2xakUNB6w
Name (2RS,3RS,6RS,E)-Ethyl 4,6-dimethyl-7-methoxy-2-(4-methoxyphenylsulfanyl)-3-phenylethylhept-4-enoate
Alternate Name(s) (2RS,3SR,6SR,E)-Ethyl 7-methoxy-2-(4-methoxyphenylsulfanyl)-4,6-dimethyl-3-(2'-phenylethyl)hept-4-enoate Ethyl (4E)-7-methoxy-2-[(4-methoxyphenyl)sulfanyl]-4,6-dimethyl-3-(2-phenylethyl)-4-heptenoate
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Formula C27H36O4S
InChI InChI=1S/C27H36O4S/c1-6-31-27(28)26(32-24-15-13-23(30-5)14-16-24)25(21(3)18-20(2)19-29-4)17-12-22-10-8-7-9-11-22/h7-11,13-16,18,20,25-26H,6,12,17,19H2,1-5H3/b21-18+
InChIKey HAFQLWZZJJQLRW-DYTRJAOYSA-N
Molecular Weight 456.641 g/mol
SMILES C(C(\C(=C\C(COC)C)C)CCc1ccccc1)(C(=O)OCC)Sc1ccc(cc1)OC
SPLASH splash10-01r7-7930200000-20f3b9471abcd6436cbb
Source of Spectrum KC-0-374-61
Wiley ID 785029