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(+)-(2R,5S)-5-ethyl-2-heptylpyrrolidine
SpectraBase Compound ID 4rHT71HXN83
InChI InChI=1S/C13H27N/c1-3-5-6-7-8-9-13-11-10-12(4-2)14-13/h12-14H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKey FDMPRHCJRYHIBI-QWHCGFSZSA-N
Mol Weight 197.37 g/mol
Molecular Formula C13H27N
Exact Mass 197.21435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Eaa7bZ7SOG
Name (+)-(2R,5S)-5-ethyl-2-heptylpyrrolidine
Alternate Name(s) (2S,5R)-2-ethyl-5-heptylpyrrolidine
CAS Registry Number 120054-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H27N
InChI InChI=1S/C13H27N/c1-3-5-6-7-8-9-13-11-10-12(4-2)14-13/h12-14H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKey FDMPRHCJRYHIBI-QWHCGFSZSA-N
Molecular Weight 197.366 g/mol
SMILES N1[C@@](CC[C@@]1(CC)[H])(CCCCCCC)[H]
SPLASH splash10-00r2-4900000000-222956416166cd015484
Source of Spectrum F-44-2467-13
Wiley ID 1194682