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6-Aminohexanamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-[2-aminobutanoyl]-
SpectraBase Compound ID SsFej5ygUt
InChI InChI=1S/C18H32N4O2/c1-21(13-5-6-14-22-15-7-8-16-22)18(24)9-3-2-4-12-20-17(23)10-11-19/h2-4,7-16,19H2,1H3,(H,20,23)
InChIKey JHRXLGQHHFTYKL-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C18H32N4O2
Exact Mass 336.252526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GV4tprkHhsJ
Name 6-Aminohexanamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-[2-aminobutanoyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.252526284 u
Formula C18H32N4O2
InChI InChI=1S/C18H32N4O2/c1-21(13-5-6-14-22-15-7-8-16-22)18(24)9-3-2-4-12-20-17(23)10-11-19/h2-4,7-16,19H2,1H3,(H,20,23)
InChIKey JHRXLGQHHFTYKL-UHFFFAOYSA-N
Molecular Weight 336.480 g/mol
SMILES C1CN(CC#CCN(C(=O)CCCCCNC(CCN)=O)C)CC1