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3-Benzyl-3-hydroxy-6-methylidene-1-phenylpiperazine-2,5-dione

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

3-Benzyl-3-hydroxy-6-methylidene-1-phenylpiperazine-2,5-dione
SpectraBase Compound ID BnbxPbD2RBa
InChI InChI=1S/C18H16N2O3/c1-13-16(21)19-18(23,12-14-8-4-2-5-9-14)17(22)20(13)15-10-6-3-7-11-15/h2-11,23H,1,12H2,(H,19,21)
InChIKey HAFADPZTYMEBRF-UHFFFAOYSA-N
Mol Weight 308.34 g/mol
Molecular Formula C18H16N2O3
Exact Mass 308.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ErWKR9ZmHWe
Name 3-Benzyl-3-hydroxy-6-methylidene-1-phenylpiperazine-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.116092380 u
Formula C18H16N2O3
InChI InChI=1S/C18H16N2O3/c1-13-16(21)19-18(23,12-14-8-4-2-5-9-14)17(22)20(13)15-10-6-3-7-11-15/h2-11,23H,1,12H2,(H,19,21)
InChIKey HAFADPZTYMEBRF-UHFFFAOYSA-N
Molecular Weight 308.337 g/mol
SMILES C=1(N2C(=O)C(CC3=CC=CC=C3)(O)NC(=O)C2=C)C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932786