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2-Pentanone, 4-methyl-4-(1-methyl-2-phenyl-2-pyrrolidinyl)-

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

2-Pentanone, 4-methyl-4-(1-methyl-2-phenyl-2-pyrrolidinyl)-
SpectraBase Compound ID 3s0Jr826L1B
InChI InChI=1S/C17H25NO/c1-14(19)13-16(2,3)17(11-8-12-18(17)4)15-9-6-5-7-10-15/h5-7,9-10H,8,11-13H2,1-4H3
InChIKey SCUICBQARUKJFF-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 AR1CfooOFeW
Name 2-Pentanone, 4-methyl-4-(1-methyl-2-phenyl-2-pyrrolidinyl)-
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/c1-14(19)13-16(2,3)17(11-8-12-18(17)4)15-9-6-5-7-10-15/h5-7,9-10H,8,11-13H2,1-4H3
InChIKey SCUICBQARUKJFF-UHFFFAOYSA-N
Molecular Weight 259.393 g/mol
SMILES C1(C(CC(=O)C)(C)C)(N(CCC1)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942786