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((S)-1-((S)-1-phenylnon-1-yn-3-yl)pyrrolidin-2-yl)methanol

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

((S)-1-((S)-1-phenylnon-1-yn-3-yl)pyrrolidin-2-yl)methanol
SpectraBase Compound ID GM1chdERGns
InChI InChI=1S/C20H29NO/c1-2-3-4-8-12-19(21-16-9-13-20(21)17-22)15-14-18-10-6-5-7-11-18/h5-7,10-11,19-20,22H,2-4,8-9,12-13,16-17H2,1H3/t19-,20-/m0/s1
InChIKey FTWOUOGFHSKZLI-PMACEKPBSA-N
Mol Weight 299.46 g/mol
Molecular Formula C20H29NO
Exact Mass 299.224915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LqBNkIbqdpp
Name ((S)-1-((S)-1-Phenylnon-1-yn-3-yl)pyrrolidin-2-yl)methanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.224914557 u
Formula C20H29NO
InChI InChI=1S/C20H29NO/c1-2-3-4-8-12-19(21-16-9-13-20(21)17-22)15-14-18-10-6-5-7-11-18/h5-7,10-11,19-20,22H,2-4,8-9,12-13,16-17H2,1H3/t19-,20-/m0/s1
InChIKey FTWOUOGFHSKZLI-PMACEKPBSA-N
SMILES C1N([C@@](CC1)(CO)[H])[C@](C#CC=1C=CC=CC1)(CCCCCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87116