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(2S,3S,5R)-3-Acetoxy-1-ethoxycarbonyl-2-benzyl-5-nonylpyrrolidine
SpectraBase Compound ID 2qQs9Jz4Ott
InChI InChI=1S/C25H39NO4/c1-4-6-7-8-9-10-14-17-22-19-24(30-20(3)27)23(26(22)25(28)29-5-2)18-21-15-12-11-13-16-21/h11-13,15-16,22-24H,4-10,14,17-19H2,1-3H3/t22-,23+,24+/m1/s1
InChIKey YGAUTTJKENBQTD-SGNDLWITSA-N
Mol Weight 417.6 g/mol
Molecular Formula C25H39NO4
Exact Mass 417.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IX9ruZaqTR1
Name (2S,3S,5R)-3-Acetoxy-1-ethoxycarbonyl-2-benzyl-5-nonylpyrrolidine
Alternate Name(s) Ethyl (2S,3S,5R)-3-(acetyloxy)-2-benzyl-5-nonyl-1-pyrrolidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39NO4
InChI InChI=1S/C25H39NO4/c1-4-6-7-8-9-10-14-17-22-19-24(30-20(3)27)23(26(22)25(28)29-5-2)18-21-15-12-11-13-16-21/h11-13,15-16,22-24H,4-10,14,17-19H2,1-3H3/t22-,23+,24+/m1/s1
InChIKey YGAUTTJKENBQTD-SGNDLWITSA-N
Molecular Weight 417.590 g/mol
SMILES [C@@]1(N([C@@](C[C@@]1(OC(=O)C)[H])(CCCCCCCCC)[H])C(=O)OCC)(Cc1ccccc1)[H]
SPLASH splash10-004i-0019000000-dd51281997ec6db7f7f5
Source of Spectrum KC-0-269-24
Wiley ID 827378