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4-(Acetoxymethyl)-2.alpha.-phenyl-6-(2,2,2-trichloroethoxycarbonyl)-6-azabicyclo[3.2.2]nona-3-ene
SpectraBase Compound ID 4QfoRjDCIu3
InChI InChI=1S/C20H22Cl3NO4/c1-13(25)27-11-16-9-17(14-5-3-2-4-6-14)15-7-8-18(16)24(10-15)19(26)28-12-20(21,22)23/h2-6,9,15,17-18H,7-8,10-12H2,1H3/t15?,17-,18?/m0/s1
InChIKey RIULIQXKIPQPOD-NXYGQSRBSA-N
Mol Weight 446.76 g/mol
Molecular Formula C20H22Cl3NO4
Exact Mass 445.061441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBMfg2SP9xj
Name 4-(Acetoxymethyl)-2.alpha.-phenyl-6-(2,2,2-trichloroethoxycarbonyl)-6-azabicyclo[3.2.2]nona-3-ene
Alternate Name(s) 2,2,2-trichloroethyl (2R)-4-[(acetyloxy)methyl]-2-phenyl-6-azabicyclo[3.2.2]non-3-ene-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22Cl3NO4
InChI InChI=1S/C20H22Cl3NO4/c1-13(25)27-11-16-9-17(14-5-3-2-4-6-14)15-7-8-18(16)24(10-15)19(26)28-12-20(21,22)23/h2-6,9,15,17-18H,7-8,10-12H2,1H3/t15?,17-,18?/m0/s1
InChIKey RIULIQXKIPQPOD-NXYGQSRBSA-N
Molecular Weight 446.758 g/mol
SMILES C12N(CC([C@@](C=C2COC(=O)C)(c2ccccc2)[H])CC1)C(OCC(Cl)(Cl)Cl)=O
SPLASH splash10-001i-0902000000-92943a8bb13935a7f0a2
Source of Spectrum J-67-5689-20
Wiley ID 1570577