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bis(5,16-Thiazolyl-1,2,10,11-benzene)-coronand (18-C-6)
SpectraBase Compound ID JhEPesLL5Mj
InChI InChI=1S/C22H18N2O4S2/c1-2-6-18-17(5-1)25-9-15-13-29-21(23-15)11-27-19-7-3-4-8-20(19)28-12-22-24-16(10-26-18)14-30-22/h1-8,13-14H,9-12H2
InChIKey LEHVTLKVHLGBSV-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C22H18N2O4S2
Exact Mass 438.070799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISztpLsVQZb
Name bis(5,16-Thiazolyl-1,2,10,11-benzene)-coronand (18-C-6)
Alternate Name(s) 3,10,17,24-tetraoxa-13,28-dithia-29,30-diazapentacyclo[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-1(29),4,6,8,12(30),14,18,20,22,26-decaene
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Formula C22H18N2O4S2
InChI InChI=1S/C22H18N2O4S2/c1-2-6-18-17(5-1)25-9-15-13-29-21(23-15)11-27-19-7-3-4-8-20(19)28-12-22-24-16(10-26-18)14-30-22/h1-8,13-14H,9-12H2
InChIKey LEHVTLKVHLGBSV-UHFFFAOYSA-N
Molecular Weight 438.516 g/mol
SMILES c12nc(sc2)COc2c(OCc3nc(COc4c(OC1)cccc4)cs3)cccc2
SPLASH splash10-03dr-0912200000-3ae421fede7f59a5bb1f
Source of Spectrum Y-35-180-8
Wiley ID 1384069