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(1S,6S,7R)-(1R,2S,5R)-2-(2-(4-methoxyphenyl)propan-2-yl)-5-methylcyclo-hexyl7-cyano-7-methyl-5-oxobicyclo[4.2.0]octane-1-carboxylate)

View entire compound with spectra: 1 MS (GC)

(1S,6S,7R)-(1R,2S,5R)-2-(2-(4-methoxyphenyl)propan-2-yl)-5-methylcyclo-hexyl7-cyano-7-methyl-5-oxobicyclo[4.2.0]octane-1-carboxylate)
SpectraBase Compound ID AKFv6hSFfwC
InChI InChI=1S/C28H37NO4/c1-18-8-13-21(26(2,3)19-9-11-20(32-5)12-10-19)23(15-18)33-25(31)28-14-6-7-22(30)24(28)27(4,16-28)17-29/h9-12,18,21,23-24H,6-8,13-16H2,1-5H3/t18-,21-,23-,24+,27+,28+/m1/s1
InChIKey FPQXIFSVYTZABG-ZJLFETBPSA-N
Mol Weight 451.6 g/mol
Molecular Formula C28H37NO4
Exact Mass 451.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 812GHHAFElS
Name (1S,6S,7R)-(1R,2S,5R)-2-(2-(4-methoxyphenyl)propan-2-yl)-5-methylcyclo-hexyl7-cyano-7-methyl-5-oxobicyclo[4.2.0]octane-1-carboxylate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37NO4
InChI InChI=1S/C28H37NO4/c1-18-8-13-21(26(2,3)19-9-11-20(32-5)12-10-19)23(15-18)33-25(31)28-14-6-7-22(30)24(28)27(4,16-28)17-29/h9-12,18,21,23-24H,6-8,13-16H2,1-5H3/t18-,21-,23-,24+,27+,28+/m1/s1
InChIKey FPQXIFSVYTZABG-ZJLFETBPSA-N
Molecular Weight 451.607 g/mol
SMILES [C@]12(C(O[C@]3([C@](C(c4ccc(cc4)OC)(C)C)(CC[C@](C3)(C)[H])[H])[H])=O)[C@]([C@@](C#N)(C)C1)(C(=O)CCC2)[H]
SPLASH splash10-0002-0900000000-5357314e0e5cad84ff81
Source of Spectrum F-69-788-2af2
Synonyms (1S,6S,7R)-(1R,2S,5R)-2-(2-(4-methoxyphenyl)propan-2-yl)-5-methylcyclohexyl 7-cyano-7-methyl-5-oxobicyclo[4.2.0]octane-1-carboxylate) (1S,6S,7R)-(1R,2S,5R)-2-(2-(4-methoxyphenyl)propan-2-yl)-5-methylcyclohexyl 7-cyano-7-methyl-5-oxobicyclo[4.2.0]octane-1-carboxylate
Wiley ID 1737468