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6-Aminohexanamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-aminoacetyl-
SpectraBase Compound ID GPrG5c34RUL
InChI InChI=1S/C17H30N4O2/c1-20(11-5-6-12-21-13-7-8-14-21)17(23)9-3-2-4-10-19-16(22)15-18/h2-4,7-15,18H2,1H3,(H,19,22)
InChIKey PYYYHCSYKCODAM-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C17H30N4O2
Exact Mass 322.236876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kJVurmU2LE
Name 6-Aminohexanamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-aminoacetyl-
Comments Computed using HOSE algorithm
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Exact Mass 322.236876220 u
Formula C17H30N4O2
InChI InChI=1S/C17H30N4O2/c1-20(11-5-6-12-21-13-7-8-14-21)17(23)9-3-2-4-10-19-16(22)15-18/h2-4,7-15,18H2,1H3,(H,19,22)
InChIKey PYYYHCSYKCODAM-UHFFFAOYSA-N
Molecular Weight 322.453 g/mol
SMILES C1CN(CC#CCN(C(=O)CCCCCNC(CN)=O)C)CC1