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(3S)-1-[(2R,6R)-6-propyl-2-piperidinyl]-3-heptanol

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

(3S)-1-[(2R,6R)-6-propyl-2-piperidinyl]-3-heptanol
SpectraBase Compound ID 11UcGdvPSS3
InChI InChI=1S/C15H31NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKey DOQUWFOOVMIENZ-KFWWJZLASA-N
Mol Weight 241.42 g/mol
Molecular Formula C15H31NO
Exact Mass 241.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4gwsrAdlx73
Name (3S)-1-[(2R,6R)-6-Propyl-2-piperidinyl]-3-heptanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.240564621 u
Formula C15H31NO
InChI InChI=1S/C15H31NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13-17H,3-12H2,1-2H3/t13-,14-,15+/m1/s1
InChIKey DOQUWFOOVMIENZ-KFWWJZLASA-N
Molecular Weight 241.419 g/mol
SMILES [C@@]1(N[C@@](CCC1)(CCC)[H])(CC[C@@](O)(CCCC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954698