SpectraBase Compound ID | HQQ9G64rao6 |
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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 |
SpectraBase Spectrum ID | 5XqfuMMzcCG |
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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 |