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[(1R*,2S*,3R*,5S*)-5-Acetoxy-2-(acetylamino)-2-methyl-3-phenylcyclohexyl]methyl acetate
SpectraBase Compound ID L8hNkHZ5YgR
InChI InChI=1S/C20H27NO5/c1-13(22)21-20(4)17(12-25-14(2)23)10-18(26-15(3)24)11-19(20)16-8-6-5-7-9-16/h5-9,17-19H,10-12H2,1-4H3,(H,21,22)/t17-,18+,19+,20+/m0/s1
InChIKey MBXMYGIENJXSEU-MTQWCTHYSA-N
Mol Weight 361.44 g/mol
Molecular Formula C20H27NO5
Exact Mass 361.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1e2JDUk830l
Name [(1R*,2S*,3R*,5S*)-5-Acetoxy-2-(acetylamino)-2-methyl-3-phenylcyclohexyl]methyl acetate
Alternate Name(s) (1S,3R,4S,5R)-4-(acetylamino)-3-[(acetyloxy)methyl]-4-methyl-5-phenylcyclohexyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO5
InChI InChI=1S/C20H27NO5/c1-13(22)21-20(4)17(12-25-14(2)23)10-18(26-15(3)24)11-19(20)16-8-6-5-7-9-16/h5-9,17-19H,10-12H2,1-4H3,(H,21,22)/t17-,18+,19+,20+/m0/s1
InChIKey MBXMYGIENJXSEU-MTQWCTHYSA-N
Molecular Weight 361.438 g/mol
SMILES N([C@]1([C@](C[C@@](C[C@]1(COC(=O)C)[H])(OC(=O)C)[H])(c1ccccc1)[H])C)C(=O)C
SPLASH splash10-0udo-0900000000-434835624b204c843890
Source of Spectrum J-62-4625-16
Wiley ID 1349014