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2,5-Piperazinedione, 3-(hydroxymethyl)-6-(phenylmethyl)-

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

2,5-Piperazinedione, 3-(hydroxymethyl)-6-(phenylmethyl)-
SpectraBase Compound ID 1aVQza8lvYs
InChI InChI=1S/C12H14N2O3/c15-7-10-12(17)13-9(11(16)14-10)6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2,(H,13,17)(H,14,16)
InChIKey WIJKWEYCUNYTGY-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C12H14N2O3
Exact Mass 234.100442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5cvAgrIpLtt
Name 2,5-Piperazinedione, 3-(hydroxymethyl)-6-(phenylmethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.100442316 u
Formula C12H14N2O3
InChI InChI=1S/C12H14N2O3/c15-7-10-12(17)13-9(11(16)14-10)6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2,(H,13,17)(H,14,16)
InChIKey WIJKWEYCUNYTGY-UHFFFAOYSA-N
Molecular Weight 234.255 g/mol
SMILES C1=CC=CC(=C1)CC1C(=O)NC(CO)C(=O)N1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955215