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(2R,6R,7S)-7-Butyl-2-pentyl-1,8-diazaspiro[5.5]undecane

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

(2R,6R,7S)-7-Butyl-2-pentyl-1,8-diazaspiro[5.5]undecane
SpectraBase Compound ID grTntDfCCZ
InChI InChI=1S/C18H36N2/c1-3-5-7-10-16-11-8-13-18(20-16)14-9-15-19-17(18)12-6-4-2/h16-17,19-20H,3-15H2,1-2H3/t16-,17+,18-/m1/s1
InChIKey JYBPUXLBTBABLD-FGTMMUONSA-N
Mol Weight 280.5 g/mol
Molecular Formula C18H36N2
Exact Mass 280.287849 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1PKRRzFsjFi
Name (2R,6R,7S)-7-Butyl-2-pentyl-1,8-diazaspiro[5.5]undecane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.287849167 u
Formula C18H36N2
InChI InChI=1S/C18H36N2/c1-3-5-7-10-16-11-8-13-18(20-16)14-9-15-19-17(18)12-6-4-2/h16-17,19-20H,3-15H2,1-2H3/t16-,17+,18-/m1/s1
InChIKey JYBPUXLBTBABLD-FGTMMUONSA-N
SMILES [C@@]12(N[C@@](CCC2)(CCCCC)[H])[C@@](NCCC1)(CCCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886547