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3-Benzyl-6-(hydroxymethyl)-2,5-piperazinedione

View entire compound with spectra: 2 MS (GC)

3-Benzyl-6-(hydroxymethyl)-2,5-piperazinedione
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NTgY10wGbc
Name 3-Benzyl-6-(hydroxymethyl)-2,5-piperazinedione
Alternate Name(s) 2,5-Piperazinedione, 3-(hydroxymethyl)-6-(phenylmethyl)- 3-(hydroxymethyl)-6-(phenylmethyl)piperazine-2,5-dione 3-Benzyl-6-(hydroxymethyl)piperazine-2,5-dione 3-Benzyl-6-methylol-piperazine-2,5-quinone
CAS Registry Number 57287-86-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N1C(C(CO)NC(=O)C1Cc1ccccc1)=O
SPLASH splash10-0006-9430000000-8e15f9dfb5011cfed958
Wiley ID 1489240