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(S,S,S)-tert-Butyl 3-[N-(2-methoxymethyl)pyrrolidin-1-yl]amino-2-(propyl)tetradecanoate
SpectraBase Compound ID 31X1O9WbrDe
InChI InChI=1S/C27H54N2O3/c1-7-9-10-11-12-13-14-15-16-20-25(28-29-21-17-19-23(29)22-31-6)24(18-8-2)26(30)32-27(3,4)5/h23-25,28H,7-22H2,1-6H3/t23-,24-,25-/m0/s1
InChIKey QMEYVRRXKSWHHF-SDHOMARFSA-N
Mol Weight 454.7 g/mol
Molecular Formula C27H54N2O3
Exact Mass 454.413444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au4qD6d4AkW
Name (S,S,S)-tert-Butyl 3-[N-(2-methoxymethyl)pyrrolidin-1-yl]amino-2-(propyl)tetradecanoate
Alternate Name(s) tert-Butyl (2S,3S)-3-{[(2S)-2-(methoxymethyl)pyrrolidinyl]amino}-2-propyltetradecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H54N2O3
InChI InChI=1S/C27H54N2O3/c1-7-9-10-11-12-13-14-15-16-20-25(28-29-21-17-19-23(29)22-31-6)24(18-8-2)26(30)32-27(3,4)5/h23-25,28H,7-22H2,1-6H3/t23-,24-,25-/m0/s1
InChIKey QMEYVRRXKSWHHF-SDHOMARFSA-N
Molecular Weight 454.740 g/mol
SMILES N(N1[C@](COC)(CCC1)[H])[C@]([C@@](C(OC(C)(C)C)=O)(CCC)[H])(CCCCCCCCCCC)[H]
SPLASH splash10-0k92-4497700000-5152b0a3569f24d3c6c4
Source of Spectrum SO-0-1324-3
Wiley ID 1545356