(4R,5E)-5-[(2S)-2-(1-ethyl-1-methoxy-propyl)pyrrolidin-1-yl]imino-3,3-dimethyl-hept-1-en-4-ol

SpectraBase Compound ID	3dZMBP8dyx6
InChI	InChI=1S/C19H36N2O2/c1-8-15(17(22)18(5,6)9-2)20-21-14-12-13-16(21)19(10-3,11-4)23-7/h9,16-17,22H,2,8,10-14H2,1,3-7H3/b20-15+/t16-,17-/m0/s1
InChIKey	KJASFJQYGTUYEZ-RAXSNBGYSA-N Google Search
Mol Weight	324.5 g/mol
Molecular Formula	C19H36N2O2
Exact Mass	324.277678 g/mol

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SpectraBase Spectrum ID	HY3TC54Lxuh
Name	(4R,5E)-5-[(2S)-2-(1-Ethyl-1-methoxy-propyl)pyrrolidin-1-yl]imino-3,3-dimethyl-hept-1-en-4-ol
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	324.277678405 u
Formula	C19H36N2O2
InChI	InChI=1S/C19H36N2O2/c1-8-15(17(22)18(5,6)9-2)20-21-14-12-13-16(21)19(10-3,11-4)23-7/h9,16-17,22H,2,8,10-14H2,1,3-7H3/b20-15+/t16-,17-/m0/s1
InChIKey	KJASFJQYGTUYEZ-RAXSNBGYSA-N
Molecular Weight	324.509 g/mol
SMILES	[C@@](\C(=N\N1[C@](C(OC)(CC)CC)(CCC1)[H])CC)(C(C=C)(C)C)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.961485