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(3R,5S,8ar)-3-Butyl-5-(3-hydroxypropyl)octahydroindolidine[(-)indolizine 239AB(-)-3]

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(3R,5S,8ar)-3-Butyl-5-(3-hydroxypropyl)octahydroindolidine[(-)indolizine 239AB(-)-3]
SpectraBase Compound ID C2hogxsvCnN
InChI InChI=1S/C15H29NO/c1-2-3-6-14-10-11-15-8-4-7-13(16(14)15)9-5-12-17/h13-15,17H,2-12H2,1H3/t13-,14+,15+/m0/s1
InChIKey NDGNYHJTNRNBRT-RRFJBIMHSA-N
Mol Weight 239.4 g/mol
Molecular Formula C15H29NO
Exact Mass 239.224915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EOS48x1tDsR
Name (3R,5S,8ar)-3-Butyl-5-(3-hydroxypropyl)octahydroindolidine[(-)indolizine 239AB(-)-3]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.224914557 u
Formula C15H29NO
InChI InChI=1S/C15H29NO/c1-2-3-6-14-10-11-15-8-4-7-13(16(14)15)9-5-12-17/h13-15,17H,2-12H2,1H3/t13-,14+,15+/m0/s1
InChIKey NDGNYHJTNRNBRT-RRFJBIMHSA-N
Molecular Weight 239.403 g/mol
SMILES [C@]12(N([C@@](CC2)(CCCC)[H])[C@@](CCC1)(CCCO)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898371