(2S)-2-(methoxymethyl)-N-[(2R,3R)-2-phenyl-1-phenylmethoxy-nonan-3-yl]pyrrolidin-1-amine

SpectraBase Compound ID	L1FHHVkDhmH
InChI	InChI=1S/C28H42N2O2/c1-3-4-5-12-19-28(29-30-20-13-18-26(30)22-31-2)27(25-16-10-7-11-17-25)23-32-21-24-14-8-6-9-15-24/h6-11,14-17,26-29H,3-5,12-13,18-23H2,1-2H3/t26-,27+,28+/m0/s1
InChIKey	JMEPARMPRIOWKZ-UPRLRBBYSA-N Google Search
Mol Weight	438.7 g/mol
Molecular Formula	C28H42N2O2
Exact Mass	438.324629 g/mol

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SpectraBase Spectrum ID	CHflO69Y2bJ
Name	(2S)-2-(Methoxymethyl)-N-[(2R,3R)-2-phenyl-1-phenylmethoxy-nonan-3-yl]pyrrolidin-1-amine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	438.324628598 u
Formula	C28H42N2O2
InChI	InChI=1S/C28H42N2O2/c1-3-4-5-12-19-28(29-30-20-13-18-26(30)22-31-2)27(25-16-10-7-11-17-25)23-32-21-24-14-8-6-9-15-24/h6-11,14-17,26-29H,3-5,12-13,18-23H2,1-2H3/t26-,27+,28+/m0/s1
InChIKey	JMEPARMPRIOWKZ-UPRLRBBYSA-N
Molecular Weight	438.656 g/mol
SMILES	[C@@](NN1[C@](COC)(CCC1)[H])([C@@](C1=CC=CC=C1)(COCC=1C=CC=CC1)[H])(CCCCCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.886951