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(E)-[(2S)-2-(tert-butylthio)pentylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(E)-[(2S)-2-(tert-butylthio)pentylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine
SpectraBase Compound ID 7WXHeXXpen3
InChI InChI=1S/C15H30N2OS/c1-6-8-14(19-15(2,3)4)11-16-17-10-7-9-13(17)12-18-5/h11,13-14H,6-10,12H2,1-5H3/b16-11+/t13-,14-/m0/s1
InChIKey HDZNYGRTHRKBLK-XFPDNBNNSA-N
Mol Weight 286.48 g/mol
Molecular Formula C15H30N2OS
Exact Mass 286.207885 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KhyR56uI8dP
Name (E)-[(2S)-2-(tert-butylthio)pentylidene]-[(2S)-2-(methoxymethyl)pyrrolidino]amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.207884767 u
Formula C15H30N2OS
InChI InChI=1S/C15H30N2OS/c1-6-8-14(19-15(2,3)4)11-16-17-10-7-9-13(17)12-18-5/h11,13-14H,6-10,12H2,1-5H3/b16-11+/t13-,14-/m0/s1
InChIKey HDZNYGRTHRKBLK-XFPDNBNNSA-N
SMILES [C@@](\C=N\N1[C@](COC)(CCC1)[H])(SC(C)(C)C)(CCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9321