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1-(Cyclohex-3-en-1-ylmethyl)-4-((4-fluorophenyl)sulfonyl)piperazine oxalate

View entire compound with spectra: 2 NMR

1-(Cyclohex-3-en-1-ylmethyl)-4-((4-fluorophenyl)sulfonyl)piperazine oxalate
SpectraBase Compound ID 45kudcEFZAr
InChI InChI=1S/C17H23FN2O2S.C2H2O4/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15;3-1(4)2(5)6/h1-2,6-9,15H,3-5,10-14H2;(H,3,4)(H,5,6)
InChIKey DKXOHGKPGMJWBB-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C19H25FN2O6S
Exact Mass 428.141736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILcsC1jTQNY
Name 1-(Cyclohex-3-en-1-ylmethyl)-4-((4-fluorophenyl)sulfonyl)piperazine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.141735864 u
Formula C19H25FN2O6S
InChI InChI=1S/C17H23FN2O2S.C2H2O4/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15;3-1(4)2(5)6/h1-2,6-9,15H,3-5,10-14H2;(H,3,4)(H,5,6)
InChIKey DKXOHGKPGMJWBB-UHFFFAOYSA-N
Molecular Weight 428.475 g/mol
SMILES OC(C(O)=O)=O.C1CC=CCC1CN1CCN(S(C2=CC=C(C=C2)F)(=O)=O)CC1