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(2S,3S,5S)-N-[(tert-butoxycarbonyl)]-2-benzyl-3-benzyloxy-5-nonyl-pyrrolidine
SpectraBase Compound ID L8bqZqK3Gye
InChI InChI=1S/C32H47NO3/c1-5-6-7-8-9-10-17-22-28-24-30(35-25-27-20-15-12-16-21-27)29(23-26-18-13-11-14-19-26)33(28)31(34)36-32(2,3)4/h11-16,18-21,28-30H,5-10,17,22-25H2,1-4H3/t28-,29-,30-/m0/s1
InChIKey FGSZCGIFQMITRJ-DTXPUJKBSA-N
Mol Weight 493.7 g/mol
Molecular Formula C32H47NO3
Exact Mass 493.355594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57pYPWoEiqT
Name (2S,3S,5S)-N-[(tert-butoxycarbonyl)]-2-benzyl-3-benzyloxy-5-nonyl-pyrrolidine
Alternate Name(s) (2S,3S,5S)-tert-butyl 2-benzyl-3-(benzyloxy)-5-nonylpyrrolidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H47NO3
InChI InChI=1S/C32H47NO3/c1-5-6-7-8-9-10-17-22-28-24-30(35-25-27-20-15-12-16-21-27)29(23-26-18-13-11-14-19-26)33(28)31(34)36-32(2,3)4/h11-16,18-21,28-30H,5-10,17,22-25H2,1-4H3/t28-,29-,30-/m0/s1
InChIKey FGSZCGIFQMITRJ-DTXPUJKBSA-N
Literature Reference DOI 10.1002/cjoc.19980160513
Molecular Weight 493.732 g/mol
SMILES [C@@]1(N([C@](C[C@@]1(OCc1ccccc1)[H])(CCCCCCCCC)[H])C(OC(C)(C)C)=O)(Cc1ccccc1)[H]
SPLASH splash10-0006-9006100000-2109953451c9b074f2b8
Source of Spectrum CJC-16-466-14b
Wiley ID 1773365