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6-(4'-Methoxyphenyl)-7-methyl-delta(6,7)-dehydroindolizidine

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

6-(4'-Methoxyphenyl)-7-methyl-delta(6,7)-dehydroindolizidine
SpectraBase Compound ID Ie9zcCqmJB2
InChI InChI=1S/C16H21NO/c1-12-10-14-4-3-9-17(14)11-16(12)13-5-7-15(18-2)8-6-13/h5-8,14H,3-4,9-11H2,1-2H3
InChIKey XOHJHRPGNMAGTE-UHFFFAOYSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E10PgTp7a3U
Name 6-(4'-Methoxyphenyl)-7-methyl-delta(6,7)-dehydroindolizidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.162314299 u
Formula C16H21NO
InChI InChI=1S/C16H21NO/c1-12-10-14-4-3-9-17(14)11-16(12)13-5-7-15(18-2)8-6-13/h5-8,14H,3-4,9-11H2,1-2H3
InChIKey XOHJHRPGNMAGTE-UHFFFAOYSA-N
Molecular Weight 243.350 g/mol
SMILES COC1=CC=C(C=2CN3CCCC3CC2C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876922