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1-(4-Methoxyphenyl)-4-{8-oxatricyclo[7.4.0.0(2,7)]trideca-1(13),2(7),3,5,9,11-hexaene-4-sulfonyl}piperazine
SpectraBase Compound ID CBUu8UeMppr
InChI InChI=1S/C23H22N2O4S/c1-28-18-8-6-17(7-9-18)24-12-14-25(15-13-24)30(26,27)19-10-11-23-21(16-19)20-4-2-3-5-22(20)29-23/h2-11,16H,12-15H2,1H3
InChIKey YXRDMNNPQMQDAS-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C23H22N2O4S
Exact Mass 422.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 175XVDESl2H
Name 1-(4-Methoxyphenyl)-4-{8-oxatricyclo[7.4.0.0(2,7)]trideca-1(13),2(7),3,5,9,11-hexaene-4-sulfonyl}piperazine
Alternate Name(s) Piperazine, 1-(benzo[b]benzofuran-2-ylsulfonyl)-4-(4-methoxyphenyl)- 1-(2-Dibenzofuranylsulfonyl)-4-(4-methoxyphenyl)piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O4S
InChI InChI=1S/C23H22N2O4S/c1-28-18-8-6-17(7-9-18)24-12-14-25(15-13-24)30(26,27)19-10-11-23-21(16-19)20-4-2-3-5-22(20)29-23/h2-11,16H,12-15H2,1H3
InChIKey YXRDMNNPQMQDAS-UHFFFAOYSA-N
Molecular Weight 422.499 g/mol
SMILES c1ccc2c3cc(S(N4CCN(CC4)c4ccc(cc4)OC)(=O)=O)ccc3oc2c1
SPLASH splash10-052f-6900100000-74c9f0547fa3594a48ab
Source of Spectrum IY-2-5112-1
Wiley ID 1659104