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trans-(.+-.)-1-Acetoxy-2,5-dimethyl-5-nonyl-2-pyrrolidinehexanol acetate
SpectraBase Compound ID 8aX06fH2nOO
InChI InChI=1S/C25H47NO4/c1-6-7-8-9-10-11-14-17-24(4)19-20-25(5,26(24)30-23(3)28)18-15-12-13-16-21-29-22(2)27/h6-21H2,1-5H3/t24-,25-/m1/s1
InChIKey MVKIVODKLWEWQO-JWQCQUIFSA-N
Mol Weight 425.7 g/mol
Molecular Formula C25H47NO4
Exact Mass 425.350509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zRlyMhtUon
Name trans-(.+-.)-1-Acetoxy-2,5-dimethyl-5-nonyl-2-pyrrolidinehexanol acetate
Alternate Name(s) 6-[(2R,5R)-1-(acetyloxy)-2,5-dimethyl-5-nonylpyrrolidinyl]hexyl acetate
CAS Registry Number 67408-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H47NO4
InChI InChI=1S/C25H47NO4/c1-6-7-8-9-10-11-14-17-24(4)19-20-25(5,26(24)30-23(3)28)18-15-12-13-16-21-29-22(2)27/h6-21H2,1-5H3/t24-,25-/m1/s1
InChIKey MVKIVODKLWEWQO-JWQCQUIFSA-N
Molecular Weight 425.654 g/mol
SMILES [C@]1(N([C@@](CC1)(CCCCCCCCC)C)OC(=O)C)(CCCCCCOC(=O)C)C
SPLASH splash10-0a4l-8090000000-c05a8f093c2d7ee14d51
Source of Spectrum J-43-4229-0
Wiley ID 1379680