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Pyrrol-5-formamide, N-[2-[1-pyrrolyl]ethyl]-1-[3,4-dichlorophenacetyl]-
SpectraBase Compound ID 49kPALsN8MC
InChI InChI=1S/C19H25Cl2N3O2/c20-15-6-5-14(12-16(15)21)13-18(25)24-10-3-4-17(24)19(26)22-7-11-23-8-1-2-9-23/h5-6,12,17H,1-4,7-11,13H2,(H,22,26)
InChIKey UXGWOMKAUWPTHF-UHFFFAOYSA-N
Mol Weight 398.33 g/mol
Molecular Formula C19H25Cl2N3O2
Exact Mass 397.132382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjbLGdJQmiN
Name Pyrrol-5-formamide, N-[2-[1-pyrrolyl]ethyl]-1-[3,4-dichlorophenacetyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.132382455 u
Formula C19H25Cl2N3O2
InChI InChI=1S/C19H25Cl2N3O2/c20-15-6-5-14(12-16(15)21)13-18(25)24-10-3-4-17(24)19(26)22-7-11-23-8-1-2-9-23/h5-6,12,17H,1-4,7-11,13H2,(H,22,26)
InChIKey UXGWOMKAUWPTHF-UHFFFAOYSA-N
Molecular Weight 398.334 g/mol
SMILES C1(=CC(=CC=C1Cl)CC(=O)N1C(CCC1)C(NCCN1CCCC1)=O)Cl