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(1S,6S,7S)-(1R,2S,5R)-2-(2-(6-methoxy-naphthalen-2-yl)propan-2-yl)-5-methylcyclohexyl-7-cyano-7-methyl-5-oxobicyclo[4.2.0]octane-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1S,6S,7S)-(1R,2S,5R)-2-(2-(6-methoxy-naphthalen-2-yl)propan-2-yl)-5-methylcyclohexyl-7-cyano-7-methyl-5-oxobicyclo[4.2.0]octane-1-carboxylate
SpectraBase Compound ID 4BV4QvJEdtA
InChI InChI=1S/C32H39NO4/c1-20-8-13-25(30(2,3)23-11-9-22-17-24(36-5)12-10-21(22)16-23)27(15-20)37-29(35)32-14-6-7-26(34)28(32)31(4,18-32)19-33/h9-12,16-17,20,25,27-28H,6-8,13-15,18H2,1-5H3/t20-,25-,27-,28+,31-,32+/m1/s1
InChIKey FLDPHYYICNEAPR-GVDCGJDYSA-N
Mol Weight 501.7 g/mol
Molecular Formula C32H39NO4
Exact Mass 501.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lDzXREFnuE
Name (1S,6S,7S)-(1R,2S,5R)-2-(2-(6-methoxy-naphthalen-2-yl)propan-2-yl)-5-methylcyclohexyl-7-cyano-7-methyl-5-oxobicyclo[4.2.0]octane-1-carboxylate
Alternate Name(s) (1S,6S,7S)-(1R,2S,5R)-2-(2-(6-methoxynaphthalen-2-yl)propan-2-yl)-5-methylcyclohexyl 7-cyano-7-methyl-5-oxobicyclo[4.2.0]octane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H39NO4
InChI InChI=1S/C32H39NO4/c1-20-8-13-25(30(2,3)23-11-9-22-17-24(36-5)12-10-21(22)16-23)27(15-20)37-29(35)32-14-6-7-26(34)28(32)31(4,18-32)19-33/h9-12,16-17,20,25,27-28H,6-8,13-15,18H2,1-5H3/t20-,25-,27-,28+,31-,32+/m1/s1
InChIKey FLDPHYYICNEAPR-GVDCGJDYSA-N
Molecular Weight 501.667 g/mol
SMILES [C@]12(C(O[C@]3([C@](C(c4cc5ccc(cc5cc4)OC)(C)C)(CC[C@](C3)(C)[H])[H])[H])=O)[C@](C(=O)CCC2)([H])[C@](C1)(C#N)C
SPLASH splash10-0002-0900000000-6ffd2ca01e1a8260c1ea
Source of Spectrum F-69-789-2bf1
Wiley ID 1737460