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2,5-Piperazinedione, 3,3-dimethyl-6-phenylmethyl-

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

2,5-Piperazinedione, 3,3-dimethyl-6-phenylmethyl-
SpectraBase Compound ID GK33uoLo11A
InChI InChI=1S/C13H16N2O2/c1-13(2)12(17)14-10(11(16)15-13)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKey OGIHYJQOBLEXPP-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HDwEpbh8SuG
Name 2,5-Piperazinedione, 3,3-dimethyl-6-phenylmethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.121177761 u
Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-13(2)12(17)14-10(11(16)15-13)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKey OGIHYJQOBLEXPP-UHFFFAOYSA-N
Molecular Weight 232.283 g/mol
SMILES C1=CC(CC2C(=O)NC(C)(C(=O)N2)C)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983084