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Benazepril-M/artifact iso-2 2ET     @
SpectraBase Compound ID KvLLwXShPhQ
InChI InChI=1S/C28H36N2O6/c1-4-34-22-12-9-10-20(18-22)14-16-24(28(33)36-6-3)29-23-17-15-21-11-7-8-13-25(21)30(27(23)32)19-26(31)35-5-2/h7-13,18,23-24,29H,4-6,14-17,19H2,1-3H3
InChIKey ALPZOJNCXCEDJB-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C28H36N2O6
Exact Mass 496.257337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbaZLfpnjrL
Name Benazepril-m/artifact iso-2 2et @P1656
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.257336881 u
Formula C28H36N2O6
InChI InChI=1S/C28H36N2O6/c1-4-34-22-12-9-10-20(18-22)14-16-24(28(33)36-6-3)29-23-17-15-21-11-7-8-13-25(21)30(27(23)32)19-26(31)35-5-2/h7-13,18,23-24,29H,4-6,14-17,19H2,1-3H3
InChIKey ALPZOJNCXCEDJB-UHFFFAOYSA-N
Molecular Weight 496.604 g/mol
SMILES C=1C=CC=2N(C(C(NC(C(=O)OCC)CCC3=CC(OCC)=CC=C3)CCC2C1)=O)CC(=O)OCC