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2,7-Dihydroxy-9-[3-(2-piperidinoethoxy)phenyl]-10H-benzo[b]indeno[2,1-d]thiophen-10-one hydrochloride
SpectraBase Compound ID 3Xe4IXdnEGK
InChI InChI=1S/C28H25NO4S.ClH/c30-18-7-8-21-23(14-18)27(32)26-25-22(15-19(31)16-24(25)34-28(21)26)17-5-4-6-20(13-17)33-12-11-29-9-2-1-3-10-29;/h4-8,13-16,30-31H,1-3,9-12H2;1H
InChIKey ZXIYNMOYSKZTGS-UHFFFAOYSA-N
Mol Weight 508.03 g/mol
Molecular Formula C28H26ClNO4S
Exact Mass 507.127107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B14wFszJFSK
Name 2,7-Dihydroxy-9-[3-(2-piperidinoethoxy)phenyl]-10H-benzo[b]indeno[2,1-d]thiophen-10-one hydrochloride
Alternate Name(s) 5,13-dihydroxy-3-{3-[2-(piperidin-1-yl)ethoxy]phenyl}-8-thiatetracyclo[7.7.0.0(2,7).0(10,15)]hexadeca-1(9),2,4,6,10(15),11,13-heptaen-16-one hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26ClNO4S
InChI InChI=1S/C28H25NO4S.ClH/c30-18-7-8-21-23(14-18)27(32)26-25-22(15-19(31)16-24(25)34-28(21)26)17-5-4-6-20(13-17)33-12-11-29-9-2-1-3-10-29;/h4-8,13-16,30-31H,1-3,9-12H2;1H
InChIKey ZXIYNMOYSKZTGS-UHFFFAOYSA-N
Molecular Weight 508.032 g/mol
SMILES Cl.Oc1cc2C(c3c(sc4c3c(cc(c4)O)-c3cc(ccc3)OCCN3CCCCC3)-c2cc1)=O
SPLASH splash10-01ot-1246900000-78794003a8c5b8eb85dd
Source of Spectrum F-68-5999-3
Wiley ID 1573039