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1-((4-Chlorophenyl)sulfonyl)-4-(3,4-dimethoxybenzyl)piperazine oxalate

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1-((4-Chlorophenyl)sulfonyl)-4-(3,4-dimethoxybenzyl)piperazine oxalate
SpectraBase Compound ID 2891YO5Cvvq
InChI InChI=1S/C19H23ClN2O4S.C2H2O4/c1-25-18-8-3-15(13-19(18)26-2)14-21-9-11-22(12-10-21)27(23,24)17-6-4-16(20)5-7-17;3-1(4)2(5)6/h3-8,13H,9-12,14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey RDBHGZCMUALFDZ-UHFFFAOYSA-N
Mol Weight 500.95 g/mol
Molecular Formula C21H25ClN2O8S
Exact Mass 500.102015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGEOzZfBxBB
Name 1-((4-Chlorophenyl)sulfonyl)-4-(3,4-dimethoxybenzyl)piperazine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.102014639 u
Formula C21H25ClN2O8S
InChI InChI=1S/C19H23ClN2O4S.C2H2O4/c1-25-18-8-3-15(13-19(18)26-2)14-21-9-11-22(12-10-21)27(23,24)17-6-4-16(20)5-7-17;3-1(4)2(5)6/h3-8,13H,9-12,14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey RDBHGZCMUALFDZ-UHFFFAOYSA-N
Molecular Weight 500.950 g/mol
SMILES OC(C(O)=O)=O.COC1=CC=C(C=C1OC)CN1CCN(S(C2=CC=C(C=C2)Cl)(=O)=O)CC1