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3,4-Dimethoxy-.alpha.-Pyrrolidinohexanophenone

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

3,4-Dimethoxy-.alpha.-Pyrrolidinohexanophenone
SpectraBase Compound ID BM0bt9nGFee
InChI InChI=1S/C18H27NO3/c1-4-5-8-15(19-11-6-7-12-19)18(20)14-9-10-16(21-2)17(13-14)22-3/h9-10,13,15H,4-8,11-12H2,1-3H3
InChIKey KAWWDIAYCGMAPE-UHFFFAOYSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1PuVMLCFBOE
Name 3,4-Dimethoxy-A-pyrrolidinohexanophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.199093730 u
Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-4-5-8-15(19-11-6-7-12-19)18(20)14-9-10-16(21-2)17(13-14)22-3/h9-10,13,15H,4-8,11-12H2,1-3H3
InChIKey KAWWDIAYCGMAPE-UHFFFAOYSA-N
Molecular Weight 305.418 g/mol
SMILES C(C(=O)C1=CC(OC)=C(C=C1)OC)(CCCC)N1CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928902