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1-[(4-Methoxyphenyl)methyl]-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-one

View entire compound with spectra: 1 FTIR

1-[(4-Methoxyphenyl)methyl]-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-one
SpectraBase Compound ID 1JjggpSr4ty
InChI InChI=1S/C17H22N2O2/c1-21-15-4-2-13(3-5-15)8-17-11-18-6-7-19(12-17)10-14(9-18)16(17)20/h2-5,14H,6-12H2,1H3/t14-,17+
InChIKey GDXSAPAAHYSEPE-KDYLLFBJSA-N
Mol Weight 286.38 g/mol
Molecular Formula C17H22N2O2
Exact Mass 286.168128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3PLtzHFbUnJ
Name 1-[(4-Methoxyphenyl)methyl]-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.168127954 u
Formula C17H22N2O2
InChI InChI=1S/C17H22N2O2/c1-21-15-4-2-13(3-5-15)8-17-11-18-6-7-19(12-17)10-14(9-18)16(17)20/h2-5,14H,6-12H2,1H3/t14-,17+
InChIKey GDXSAPAAHYSEPE-KDYLLFBJSA-N
SMILES C1CN2C[C@]3(C(=O)[C@](CN1C3)(C2)[H])CC1=CC=C(OC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900578