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1-(4-(Pyrimidin-2-yl)piperazin-1-yl)but-3-en-1-one
SpectraBase Compound ID Et1Rfgoa7nq
InChI InChI=1S/C12H16N4O/c1-2-4-11(17)15-7-9-16(10-8-15)12-13-5-3-6-14-12/h2-3,5-6H,1,4,7-10H2
InChIKey GPZUTLVTGOAIQP-UHFFFAOYSA-N
Mol Weight 232.29 g/mol
Molecular Formula C12H16N4O
Exact Mass 232.132411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAYkMC2ojY3
Name 1-(4-(Pyrimidin-2-yl)piperazin-1-yl)but-3-en-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.132411150 u
Formula C12H16N4O
InChI InChI=1S/C12H16N4O/c1-2-4-11(17)15-7-9-16(10-8-15)12-13-5-3-6-14-12/h2-3,5-6H,1,4,7-10H2
InChIKey GPZUTLVTGOAIQP-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202205440
Molecular Weight 232.287 g/mol
Quality 438
Reported Formula C12H16N4O
SMILES C1(=NC=CC=N1)N1CCN(CC1)C(CC=C)=O
SPLASH splash10-074i-5910000000-4a2c9420e90277486b30
Source of Spectrum ACI-61-SM29-8q (DOI: 10.1002/anie.202205440)
Wiley ID 1897893