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Methyl (2S,2aS,5aS,8S)-8-[[(1R,2S)-2-Phenylcyclohexyl]oxy]-1,9-dioxa-9a-azacyclopenta[c]indene-2-carboxylate
SpectraBase Compound ID H7kF8GhUcsh
InChI InChI=1S/C23H31NO5/c1-26-22(25)21-18-11-7-14-23(18)15-13-20(28-24(23)29-21)27-19-12-6-5-10-17(19)16-8-3-2-4-9-16/h2-4,8-9,17-21H,5-7,10-15H2,1H3/t17-,18+,19+,20?,21-,23-/m0/s1
InChIKey PHJBOENQGWFIBY-FJGJHMBNSA-N
Mol Weight 401.5 g/mol
Molecular Formula C23H31NO5
Exact Mass 401.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlvpEeoWmvK
Name Methyl (2S,2aS,5aS,8S)-8-[[(1R,2S)-2-Phenylcyclohexyl]oxy]-1,9-dioxa-9a-azacyclopenta[c]indene-2-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO5
InChI InChI=1S/C23H31NO5/c1-26-22(25)21-18-11-7-14-23(18)15-13-20(28-24(23)29-21)27-19-12-6-5-10-17(19)16-8-3-2-4-9-16/h2-4,8-9,17-21H,5-7,10-15H2,1H3/t17-,18+,19+,20?,21-,23-/m0/s1
InChIKey PHJBOENQGWFIBY-FJGJHMBNSA-N
Molecular Weight 401.503 g/mol
SMILES [C@]1(ON2[C@]3([C@@]1(CCC3)[H])CCC(O2)O[C@]1([C@](c2ccccc2)(CCCC1)[H])[H])(C(=O)OC)[H]
SPLASH splash10-0006-9100000000-fa0aa55ab65cf0748916
Source of Spectrum J-63-1616-31
Wiley ID 1370019