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2beta-(chloromethyl)-1,2,6,7,12,12bbeta-hexahydroindolo[2,3-a]quinolizin-3-carboxylic acid tert-butylester
SpectraBase Compound ID 4DHwaexiAZH
InChI InChI=1S/C21H25ClN2O2/c1-21(2,3)26-20(25)16-12-24-9-8-15-14-6-4-5-7-17(14)23-19(15)18(24)10-13(16)11-22/h4-7,12-13,18,23H,8-11H2,1-3H3/t13-,18-/m1/s1
InChIKey FXDDFYAHYBQTTB-FZKQIMNGSA-N
Mol Weight 372.9 g/mol
Molecular Formula C21H25ClN2O2
Exact Mass 372.160456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hqjDvkkYVn
Name 2beta-(chloromethyl)-1,2,6,7,12,12bbeta-hexahydroindolo[2,3-a]quinolizin-3-carboxylic acid tert-butylester
Alternate Name(s) tert-Butyl (2S,12bR)-2-(chloromethyl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClN2O2
InChI InChI=1S/C21H25ClN2O2/c1-21(2,3)26-20(25)16-12-24-9-8-15-14-6-4-5-7-17(14)23-19(15)18(24)10-13(16)11-22/h4-7,12-13,18,23H,8-11H2,1-3H3/t13-,18-/m1/s1
InChIKey FXDDFYAHYBQTTB-FZKQIMNGSA-N
Molecular Weight 372.896 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(N(CC2)C=C([C@](C1)(CCl)[H])C(OC(C)(C)C)=O)[H]
SPLASH splash10-014i-0195000000-465d9f51c418411c8558
Source of Spectrum K-114-1902-10c
Wiley ID 1791868