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(2S)-2-(methoxymethyl)-N-[(5R,6R)-5-(phenylmethoxymethyl)dodecan-6-yl]-1-pyrrolidinamine
SpectraBase Compound ID 2N5m0YYZj0J
InChI InChI=1S/C26H46N2O2/c1-4-6-8-12-18-26(27-28-19-13-17-25(28)22-29-3)24(16-7-5-2)21-30-20-23-14-10-9-11-15-23/h9-11,14-15,24-27H,4-8,12-13,16-22H2,1-3H3/t24-,25-,26+/m0/s1
InChIKey XPROYOXIXHALLY-KKUQBAQOSA-N
Mol Weight 418.7 g/mol
Molecular Formula C26H46N2O2
Exact Mass 418.355929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5FV0r3FaSg
Name (2S)-2-(methoxymethyl)-N-[(5R,6R)-5-(phenylmethoxymethyl)dodecan-6-yl]-1-pyrrolidinamine
Alternate Name(s) (2S)-2-(methoxymethyl)-N-[(5R,6R)-5-(phenylmethoxymethyl)dodecan-6-yl]pyrrolidin-1-amine (2S)-N-[(1R)-1-[(1R)-1-(benzyloxymethyl)pentyl]heptyl]-2-(methoxymethyl)pyrrolidin-1-amine [(1R)-1-[(1R)-1-(benzoxymethyl)pentyl]heptyl]-[(2S)-2-(methoxymethyl)pyrrolidino]amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46N2O2
InChI InChI=1S/C26H46N2O2/c1-4-6-8-12-18-26(27-28-19-13-17-25(28)22-29-3)24(16-7-5-2)21-30-20-23-14-10-9-11-15-23/h9-11,14-15,24-27H,4-8,12-13,16-22H2,1-3H3/t24-,25-,26+/m0/s1
InChIKey XPROYOXIXHALLY-KKUQBAQOSA-N
Molecular Weight 418.666 g/mol
SMILES N(N1[C@](COC)(CCC1)[H])[C@@]([C@](COCc1ccccc1)(CCCC)[H])(CCCCCC)[H]
SPLASH splash10-0100-3179500000-21dc769b59134416d8aa
Source of Spectrum K1-2004-4476-3
Wiley ID 1561853