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cis-(.+-.)-1-Acetoxy-2,5-dimethyl-5-nonyl-2-pyrrolidinehexanol acetate
SpectraBase Compound ID 3E1BmptP0R5
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+/m0/s1
InChIKey MVKIVODKLWEWQO-LOSJGSFVSA-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 6RDojShcWQJ
Name cis-(.+-.)-1-Acetoxy-2,5-dimethyl-5-nonyl-2-pyrrolidinehexanol acetate
CAS Registry Number 67408-79-1
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+/m0/s1
InChIKey MVKIVODKLWEWQO-LOSJGSFVSA-N
Molecular Weight 425.654 g/mol
SMILES [C@]1(N([C@](CC1)(CCCCCCCCC)C)OC(=O)C)(CCCCCCOC(=O)C)C
SPLASH splash10-0536-0090000000-be389df1c07bf9cae040
Source of Spectrum J-43-4229-0
Synonyms 6-[(2R,5S)-1-(acetyloxy)-2,5-dimethyl-5-nonylpyrrolidinyl]hexyl acetate
Wiley ID 1379679