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(2S,3S,5R)-1-methyl-5-nonyl-2-(phenylmethyl)-3-pyrrolidinol
SpectraBase Compound ID K43ECkAMbKg
InChI InChI=1S/C21H35NO/c1-3-4-5-6-7-8-12-15-19-17-21(23)20(22(19)2)16-18-13-10-9-11-14-18/h9-11,13-14,19-21,23H,3-8,12,15-17H2,1-2H3/t19-,20+,21+/m1/s1
InChIKey GBCXKHLKJHRTAB-HKBOAZHASA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vt4MbCELHw
Name (2S,3S,5R)-1-methyl-5-nonyl-2-(phenylmethyl)-3-pyrrolidinol
CAS Registry Number 125356-66-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-3-4-5-6-7-8-12-15-19-17-21(23)20(22(19)2)16-18-13-10-9-11-14-18/h9-11,13-14,19-21,23H,3-8,12,15-17H2,1-2H3/t19-,20+,21+/m1/s1
InChIKey GBCXKHLKJHRTAB-HKBOAZHASA-N
Molecular Weight 317.517 g/mol
SMILES O[C@@]1([C@@](N([C@@](C1)(CCCCCCCCC)[H])C)(Cc1ccccc1)[H])[H]
SPLASH splash10-004i-0090000000-0700484834dbde3ff129
Source of Spectrum J-56-1132-12
Synonyms (2S,3S,5R)-1-methyl-5-nonyl-2-(phenylmethyl)pyrrolidin-3-ol (2S,3S,5R)-2-benzyl-1-methyl-5-nonyl-pyrrolidin-3-ol (2S,3S,5R)-N-Methyl-2-benzyl-3-hydroxy-5-nonyl-pyrrolidine (2S,3S,5R)-2-benzyl-1-methyl-5-nonylpyrrolidin-3-ol
Wiley ID 1317896