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8-Aminooctamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-T-butyloxycarbonyl-
SpectraBase Compound ID JueHBs64YbB
InChI InChI=1S/C22H39N3O3/c1-22(2,3)28-21(27)23-15-9-7-5-6-8-14-20(26)24(4)16-10-11-17-25-18-12-13-19-25/h5-9,12-19H2,1-4H3,(H,23,27)
InChIKey AAZZRQOLTDMXGV-UHFFFAOYSA-N
Mol Weight 393.6 g/mol
Molecular Formula C22H39N3O3
Exact Mass 393.299142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D0uviW9YDXP
Name 8-Aminooctamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-T-butyloxycarbonyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.299142125 u
Formula C22H39N3O3
InChI InChI=1S/C22H39N3O3/c1-22(2,3)28-21(27)23-15-9-7-5-6-8-14-20(26)24(4)16-10-11-17-25-18-12-13-19-25/h5-9,12-19H2,1-4H3,(H,23,27)
InChIKey AAZZRQOLTDMXGV-UHFFFAOYSA-N
Molecular Weight 393.572 g/mol
SMILES C(N(C)CC#CCN1CCCC1)(=O)CCCCCCCNC(OC(C)(C)C)=O