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But-2-enoic acid, 4-(4-methylpiperazin-1-ylamino)-4-oxo-
SpectraBase Compound ID FlQr13kHDPc
InChI InChI=1S/C9H15N3O3/c1-11-4-6-12(7-5-11)10-8(13)2-3-9(14)15/h2-3H,4-7H2,1H3,(H,10,13)(H,14,15)/b3-2+
InChIKey JEXOQMKLSSJHCO-NSCUHMNNSA-N
Mol Weight 213.24 g/mol
Molecular Formula C9H15N3O3
Exact Mass 213.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98AYJ8RhSAh
Name But-2-enoic acid, 4-(4-methylpiperazin-1-ylamino)-4-oxo-
Alternate Name(s) (2E)-4-[(4-Methyl-1-piperazinyl)amino]-4-oxo-2-butenoic acid (E)-4-keto-4-[(4-methylpiperazin-4-ium-1-yl)amino]but-2-enoate (E)-4-keto-4-[(4-methylpiperazino)amino]but-2-enoic acid (E)-4-[(4-methyl-1-piperazin-4-iumyl)amino]-4-oxo-2-butenoate (E)-4-[(4-methyl-1-piperazinyl)amino]-4-oxo-2-butenoic acid (E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxidanylidene-but-2-enoic acid (E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxo-but-2-enoic acid (E)-4-[(4-methylpiperazin-4-ium-1-yl)amino]-4-oxidanylidene-but-2-enoate (E)-4-[(4-methylpiperazin-4-ium-1-yl)amino]-4-oxo-but-2-enoate 4-[(4-methyl-1-piperazinyl)amino]-4-oxo-2-butenoic acid
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Formula C9H15N3O3
InChI InChI=1S/C9H15N3O3/c1-11-4-6-12(7-5-11)10-8(13)2-3-9(14)15/h2-3H,4-7H2,1H3,(H,10,13)(H,14,15)/b3-2+
InChIKey JEXOQMKLSSJHCO-NSCUHMNNSA-N
Molecular Weight 213.237 g/mol
SMILES OC(\C=C\C(NN1CCN(CC1)C)=O)=O
SPLASH splash10-052g-9000000000-509dc1f8d0491349c9ad
Source of Spectrum AD-0-2532-0
Wiley ID 1428687