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Dimethyl 3-benzylpyrrolizidine-1,3-dicarboxylate
SpectraBase Compound ID 2TYdKILMpTO
InChI InChI=1S/C18H23NO4/c1-22-16(20)14-12-18(17(21)23-2,19-10-6-9-15(14)19)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15-,18-/m0/s1
InChIKey WMXAMFGMRRJQFX-MPGHIAIKSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93G7YkUDC07
Name Dimethyl 3-benzylpyrrolizidine-1,3-dicarboxylate
Alternate Name(s) (1S,3R,6S)-3-Benzyl-hexahydro-pyrrolizine-1,3-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-22-16(20)14-12-18(17(21)23-2,19-10-6-9-15(14)19)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15-,18-/m0/s1
InChIKey WMXAMFGMRRJQFX-MPGHIAIKSA-N
Molecular Weight 317.385 g/mol
SMILES [C@]1(N2[C@@](CCC2)([C@](C1)(C(=O)OC)[H])[H])(C(=O)OC)Cc1ccccc1
SPLASH splash10-0002-0930000000-c4e701d142a36e9732bf
Source of Spectrum SO-0-445-9
Wiley ID 876440