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Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-naphthalenylsulfonyl)-

View entire compound with spectra: 2 NMR

Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-naphthalenylsulfonyl)-
SpectraBase Compound ID HGEmpdy6YJt
InChI InChI=1S/C22H22N2O4S/c25-29(26,20-7-6-18-3-1-2-4-19(18)14-20)24-11-9-23(10-12-24)15-17-5-8-21-22(13-17)28-16-27-21/h1-8,13-14H,9-12,15-16H2
InChIKey KVMOEQVSXIUQFU-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3t0xC3SVAG3
Name Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-naphthalenylsulfonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 410.130028366 u
Formula C22H22N2O4S
InChI InChI=1S/C22H22N2O4S/c25-29(26,20-7-6-18-3-1-2-4-19(18)14-20)24-11-9-23(10-12-24)15-17-5-8-21-22(13-17)28-16-27-21/h1-8,13-14H,9-12,15-16H2
InChIKey KVMOEQVSXIUQFU-UHFFFAOYSA-N
Molecular Weight 410.488 g/mol
SMILES C1=CC=2C=CC(S(N3CCN(CC3)CC3=CC=4OCOC4C=C3)(=O)=O)=CC2C=C1