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1-(4-Methoxyphenyl)-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-ol
SpectraBase Compound ID 4aq8FJJkmO1
InChI InChI=1S/C16H22N2O2/c1-20-14-4-2-13(3-5-14)16-10-17-6-7-18(11-16)9-12(8-17)15(16)19/h2-5,12,15,19H,6-11H2,1H3/t12-,15?,16+
InChIKey BADIXMGLEYHTJU-KEFSRYGDSA-N
Mol Weight 274.36 g/mol
Molecular Formula C16H22N2O2
Exact Mass 274.168128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ds9V7PmGK8
Name 1-(4-Methoxyphenyl)-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.168127954 u
Formula C16H22N2O2
InChI InChI=1S/C16H22N2O2/c1-20-14-4-2-13(3-5-14)16-10-17-6-7-18(11-16)9-12(8-17)15(16)19/h2-5,12,15,19H,6-11H2,1H3/t12-,15?,16+
InChIKey BADIXMGLEYHTJU-KEFSRYGDSA-N
SMILES C1[C@]2(CN3CCN1C[C@@](C2O)(C3)C1=CC=C(OC)C=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932085