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(2S,2aS,4aR,6S,7bS)-3,3-Diisopropyl-6-[(1S,2R)-(2-phenylcyclohexyl)oxy]-octhydro-7b-methyl-3-sila-1,4,7-trioxa-7a-azacicyclopent[c,d]indene-2-carboxylic Acid Methyl Ester
SpectraBase Compound ID IX6J2kNWj6y
InChI InChI=1S/C26H39NO6Si/c1-16(2)34(17(3)4)25-23-21(33-34)15-22(31-27(23)32-24(25)26(28)29-5)30-20-14-10-9-13-19(20)18-11-7-6-8-12-18/h6-8,11-12,16-17,19-25H,9-10,13-15H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+/m0/s1
InChIKey OOWVVNYXDFATRE-CGJHZZFZSA-N
Mol Weight 489.7 g/mol
Molecular Formula C26H39NO6Si
Exact Mass 489.254665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXxmbd19jFx
Name (2S,2aS,4aR,6S,7bS)-3,3-Diisopropyl-6-[(1S,2R)-(2-phenylcyclohexyl)oxy]-octhydro-7b-methyl-3-sila-1,4,7-trioxa-7a-azacicyclopent[c,d]indene-2-carboxylic Acid Methyl Ester
Alternate Name(s) methyl (2aR,3S,6S,7aR,7bS)-2,2-diisopropyl-6-{[(1R,2S)-2-phenylcyclohexyl]oxy}hexahydro-2H-1,4,5-trioxa-4a-aza-2-silacyclopenta[cd]indene-3-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H39NO6Si
InChI InChI=1S/C26H39NO6Si/c1-16(2)34(17(3)4)25-23-21(33-34)15-22(31-27(23)32-24(25)26(28)29-5)30-20-14-10-9-13-19(20)18-11-7-6-8-12-18/h6-8,11-12,16-17,19-25H,9-10,13-15H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+/m0/s1
InChIKey OOWVVNYXDFATRE-CGJHZZFZSA-N
Molecular Weight 489.684 g/mol
SMILES [C@]12([Si](O[C@]3([C@@]1(N(O[C@@](C3)(O[C@]1([C@](c3ccccc3)(CCCC1)[H])[H])[H])O[C@]2(C(=O)OC)[H])[H])[H])(C(C)C)C(C)C)[H]
SPLASH splash10-0a4i-0900000000-74ff228d59af2cf6fa10
Source of Spectrum J-62-1673-16
Wiley ID 1397066