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methyl (5S)-3,6,9-trioxo-1-phenyl-5-propyl-2-oxa-4,7,10-triazadodecan-12-oate

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methyl (5S)-3,6,9-trioxo-1-phenyl-5-propyl-2-oxa-4,7,10-triazadodecan-12-oate
SpectraBase Compound ID PEJn3EG94x
InChI InChI=1S/C18H25N3O6/c1-3-7-14(17(24)20-10-15(22)19-11-16(23)26-2)21-18(25)27-12-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,19,22)(H,20,24)(H,21,25)
InChIKey QKBCIRADCQJDIX-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C18H25N3O6
Exact Mass 379.174336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hML9zMQ7hs
Name Methyl (5S)-3,6,9-trioxo-1-phenyl-5-propyl-2-oxa-4,7,10-triazadodecan-12-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.174335531 u
Formula C18H25N3O6
InChI InChI=1S/C18H25N3O6/c1-3-7-14(17(24)20-10-15(22)19-11-16(23)26-2)21-18(25)27-12-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,19,22)(H,20,24)(H,21,25)
InChIKey QKBCIRADCQJDIX-UHFFFAOYSA-N
Molecular Weight 379.413 g/mol
SMILES N(C(=O)OCC1=CC=CC=C1)C(C(NCC(NCC(=O)OC)=O)=O)CCC