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(2R,5R)-N-[(benzyloxy)carbonyl]-5-butyl-2-(4-oxopentyl)-3-pyrroline
SpectraBase Compound ID B5lXfCWFLLn
InChI InChI=1S/C21H29NO3/c1-3-4-12-19-14-15-20(13-8-9-17(2)23)22(19)21(24)25-16-18-10-6-5-7-11-18/h5-7,10-11,14-15,19-20H,3-4,8-9,12-13,16H2,1-2H3/t19-,20-/m1/s1
InChIKey DRMBEFOISNDOOU-WOJBJXKFSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DllosEbKQNV
Name (2R,5R)-N-[(benzyloxy)carbonyl]-5-butyl-2-(4-oxopentyl)-3-pyrroline
CAS Registry Number 118014-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-3-4-12-19-14-15-20(13-8-9-17(2)23)22(19)21(24)25-16-18-10-6-5-7-11-18/h5-7,10-11,14-15,19-20H,3-4,8-9,12-13,16H2,1-2H3/t19-,20-/m1/s1
InChIKey DRMBEFOISNDOOU-WOJBJXKFSA-N
Molecular Weight 343.467 g/mol
SMILES C(N1[C@@](C=C[C@]1(CCCC)[H])(CCCC(=O)C)[H])(OCc1ccccc1)=O
SPLASH splash10-052f-6090000000-6ea3d813d5c0bca3462d
Source of Spectrum C-111-1405-41
Synonyms benzyl (2R,5R)-2-butyl-5-(4-oxopentyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
Wiley ID 1337405