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2-Thiophenepentanoic acid, 3,4-bis(benzoylamino)tetrahydro-, ethyl ester

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2-Thiophenepentanoic acid, 3,4-bis(benzoylamino)tetrahydro-, ethyl ester
SpectraBase Compound ID KeZPv6WgqDR
InChI InChI=1S/C25H30N2O4S/c1-2-31-22(28)16-10-9-15-21-23(27-25(30)19-13-7-4-8-14-19)20(17-32-21)26-24(29)18-11-5-3-6-12-18/h3-8,11-14,20-21,23H,2,9-10,15-17H2,1H3,(H,26,29)(H,27,30)
InChIKey HFZSWRHQZIOJPL-UHFFFAOYSA-N
Mol Weight 454.59 g/mol
Molecular Formula C25H30N2O4S
Exact Mass 454.192629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJ2p3u3TbEG
Name 2-Thiophenepentanoic acid, 3,4-bis(benzoylamino)tetrahydro-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.192628624 u
Formula C25H30N2O4S
InChI InChI=1S/C25H30N2O4S/c1-2-31-22(28)16-10-9-15-21-23(27-25(30)19-13-7-4-8-14-19)20(17-32-21)26-24(29)18-11-5-3-6-12-18/h3-8,11-14,20-21,23H,2,9-10,15-17H2,1H3,(H,26,29)(H,27,30)
InChIKey HFZSWRHQZIOJPL-UHFFFAOYSA-N
Molecular Weight 454.585 g/mol
SMILES N(C1CSC(C1NC(=O)C=1C=CC=CC1)CCCCC(OCC)=O)C(=O)C=1C=CC=CC1