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3,4-Dimethyl-.alpha.-pvp

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

3,4-Dimethyl-.alpha.-pvp
SpectraBase Compound ID FjcwMLOUtYt
InChI InChI=1S/C17H25NO/c1-4-7-16(18-10-5-6-11-18)17(19)15-9-8-13(2)14(3)12-15/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKey IKKXRCRMSQZNLG-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 F0Kk6frDFAP
Name 3,4-Dimethyl-.alpha.-pvp
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/c1-4-7-16(18-10-5-6-11-18)17(19)15-9-8-13(2)14(3)12-15/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKey IKKXRCRMSQZNLG-UHFFFAOYSA-N
Molecular Weight 259.393 g/mol
SMILES C(C(CCC)N1CCCC1)(=O)C1=CC=C(C(=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930615