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3-Methoxy rolicyclidene

View entire compound with spectra: 2 FTIR, 2 MS (GC), and 3 MS (LC)

3-Methoxy rolicyclidene
SpectraBase Compound ID D9UL8orycWC
InChI InChI=1S/C17H25NO/c1-19-16-9-7-8-15(14-16)17(10-3-2-4-11-17)18-12-5-6-13-18/h7-9,14H,2-6,10-13H2,1H3
InChIKey NLTZYGQREVLCBK-UHFFFAOYSA-N
Mol Weight 259.39 g/mol
Molecular Formula C17H25NO
Exact Mass 259.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1iCoaUTMHsD
Name 3-Methoxy-rolicyclidine P653
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.193614428 u
Formula C17H25NO
InChI InChI=1S/C17H25NO/c1-19-16-9-7-8-15(14-16)17(10-3-2-4-11-17)18-12-5-6-13-18/h7-9,14H,2-6,10-13H2,1H3
InChIKey NLTZYGQREVLCBK-UHFFFAOYSA-N
Molecular Weight 259.393 g/mol
SMILES COC1=CC=CC(C2(CCCCC2)N2CCCC2)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843979