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Dimethyl 1-(phenylthiomethyl)tetrahydro-1H-pyrrolizine-3,3(2H)-dicarboxylate
SpectraBase Compound ID 8urCMnXWYc9
InChI InChI=1S/C18H23NO4S/c1-22-16(20)18(17(21)23-2)11-13(15-9-6-10-19(15)18)12-24-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKey VIMIESZBUGZIOS-UHFFFAOYSA-N
Mol Weight 349.45 g/mol
Molecular Formula C18H23NO4S
Exact Mass 349.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yV8rGyrbco
Name Dimethyl 1-(phenylthiomethyl)tetrahydro-1H-pyrrolizine-3,3(2H)-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4S
InChI InChI=1S/C18H23NO4S/c1-22-16(20)18(17(21)23-2)11-13(15-9-6-10-19(15)18)12-24-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKey VIMIESZBUGZIOS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol702017t
Molecular Weight 349.445 g/mol
SMILES C1(C(OC)=O)(C(=O)OC)N2C(C(CSc3ccccc3)C1)CCC2
SPLASH splash10-0006-5890000000-8f60178058bae13cee37
Source of Spectrum A1-9-4375/SM5-4
Synonyms Dimethyl 1-((phenylthio)methyl)tetrahydro-1H-pyrrolizine-3,3(2H)-dicarboxylate
Wiley ID 1758701