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3,6-Di-0-chlorobenzoyloxytropane

View entire compound with spectra: 1 MS (GC)

3,6-Di-0-chlorobenzoyloxytropane
SpectraBase Compound ID 20lOkl9nTp8
InChI InChI=1S/C22H21Cl2NO4/c1-25-13-10-14(28-21(26)15-6-2-4-8-17(15)23)12-19(25)20(11-13)29-22(27)16-7-3-5-9-18(16)24/h2-9,13-14,19-20H,10-12H2,1H3/t13-,14?,19+,20+/m0/s1
InChIKey JVRKFOJAPDJMEM-DMHQBCLBSA-N
Mol Weight 434.32 g/mol
Molecular Formula C22H21Cl2NO4
Exact Mass 433.084764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBVZWNIVorO
Name 3,6-Di-0-chlorobenzoyloxytropane
Alternate Name(s) 3-[(2-chlorobenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]oct-6-yl 2-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21Cl2NO4
InChI InChI=1S/C22H21Cl2NO4/c1-25-13-10-14(28-21(26)15-6-2-4-8-17(15)23)12-19(25)20(11-13)29-22(27)16-7-3-5-9-18(16)24/h2-9,13-14,19-20H,10-12H2,1H3/t13-,14?,19+,20+/m0/s1
InChIKey JVRKFOJAPDJMEM-DMHQBCLBSA-N
Molecular Weight 434.319 g/mol
SMILES [C@]12(N([C@](C[C@]2(OC(c2c(Cl)cccc2)=O)[H])(CC(OC(c2c(Cl)cccc2)=O)C1)[H])C)[H]
SPLASH splash10-0007-9300000000-ebb063c766bcb25a1eca
Source of Spectrum SI-39-77-0
Wiley ID 1382646