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1-piperazinepropanamide, N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl]-
SpectraBase Compound ID 9gPGJ0yG3W5
InChI InChI=1S/C22H29N3O5S/c1-3-30-20-6-4-18(5-7-20)23-22(26)12-13-24-14-16-25(17-15-24)31(27,28)21-10-8-19(29-2)9-11-21/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKey FISDVUATWINFKB-UHFFFAOYSA-N
Mol Weight 447.55 g/mol
Molecular Formula C22H29N3O5S
Exact Mass 447.182792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZQUWVpQk6a
Name 1-Piperazinepropanamide, N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.182792215 u
Formula C22H29N3O5S
InChI InChI=1S/C22H29N3O5S/c1-3-30-20-6-4-18(5-7-20)23-22(26)12-13-24-14-16-25(17-15-24)31(27,28)21-10-8-19(29-2)9-11-21/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKey FISDVUATWINFKB-UHFFFAOYSA-N
Molecular Weight 447.550 g/mol
SMILES N(C(CCN1CCN(S(C=2C=CC(=CC2)OC)(=O)=O)CC1)=O)C1=CC=C(C=C1)OCC