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Di-tert-Butyl (1S*,2S*,5S*,9E)-5-benzyl-4-oxocyclodeca-9-ene-1,2-dicarboxylate
SpectraBase Compound ID 4on1wjabmUv
InChI InChI=1S/C27H38O5/c1-26(2,3)31-24(29)21-16-12-8-11-15-20(17-19-13-9-7-10-14-19)23(28)18-22(21)25(30)32-27(4,5)6/h7,9-10,12-14,16,20-22H,8,11,15,17-18H2,1-6H3/b16-12+/t20-,21-,22-/m0/s1
InChIKey USGHGPIOWZPAHS-BEJROXRDSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fv6qWu2D75
Name Di-tert-Butyl (1S*,2S*,5S*,9E)-5-benzyl-4-oxocyclodeca-9-ene-1,2-dicarboxylate
Alternate Name(s) di(tert-butyl) (1S,2S,8S)-8-benzyl-9-oxo-3-cyclodecene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-26(2,3)31-24(29)21-16-12-8-11-15-20(17-19-13-9-7-10-14-19)23(28)18-22(21)25(30)32-27(4,5)6/h7,9-10,12-14,16,20-22H,8,11,15,17-18H2,1-6H3/b16-12+/t20-,21-,22-/m0/s1
InChIKey USGHGPIOWZPAHS-BEJROXRDSA-N
Molecular Weight 442.596 g/mol
SMILES [C@]1(C(OC(C)(C)C)=O)([C@@](C(OC(C)(C)C)=O)(\C=C\CCC[C@](C(C1)=O)(Cc1ccccc1)[H])[H])[H]
SPLASH splash10-0a4i-9001000000-328b26ff210b378c1848
Source of Spectrum SO-0-1339-28
Wiley ID 878008