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4-(1-Methylpiperazino)-3-buten-2-one
SpectraBase Compound ID HQQ9G64rao6
InChI InChI=1S/C9H16N2O/c1-9(12)3-4-11-7-5-10(2)6-8-11/h3-4H,5-8H2,1-2H3/b4-3+
InChIKey VZRPHMJRBCYNEO-ONEGZZNKSA-N
Mol Weight 168.24 g/mol
Molecular Formula C9H16N2O
Exact Mass 168.126263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XqfuMMzcCG
Name 4-(1-Methylpiperazino)-3-buten-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.126263142 u
Formula C9H16N2O
InChI InChI=1S/C9H16N2O/c1-9(12)3-4-11-7-5-10(2)6-8-11/h3-4H,5-8H2,1-2H3/b4-3+
InChIKey VZRPHMJRBCYNEO-ONEGZZNKSA-N
Molecular Weight 168.240 g/mol
SMILES C(=O)(C)\C=C\N1CCN(C)CC1