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1,3-BIS-(THIAZOLYL)-BENZENE-CORONAND-21-C-6;BBC-21-C-6
SpectraBase Compound ID 1qUE81E3jba
InChI InChI=1S/C20H22N2O4S2/c1-2-15-10-16(3-1)20-22-18(14-28-20)12-26-9-7-24-5-4-23-6-8-25-11-17-13-27-19(15)21-17/h1-3,10,13-14H,4-9,11-12H2
InChIKey PUQGHNMNVMJVLX-UHFFFAOYSA-N
Mol Weight 418.53 g/mol
Molecular Formula C20H22N2O4S2
Exact Mass 418.1021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IB4Bn8cPfCJ
Name 1,3-bis[Thiazolyl)benzene-coronand-21-C-6
Alternate Name(s) 1,3-bis(Thiazolyl)benzene-coronand-21-C-6 7,10,13,16-tetraoxa-3,20-dithia-27,28-diazatetracyclo[20.3.1.1(2,5).1(18,21)]octacosa-1(26),2(28),4,18,21(27),22,24-heptaene BBC-21-C-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O4S2
InChI InChI=1S/C20H22N2O4S2/c1-2-15-10-16(3-1)20-22-18(14-28-20)12-26-9-7-24-5-4-23-6-8-25-11-17-13-27-19(15)21-17/h1-3,10,13-14H,4-9,11-12H2
InChIKey PUQGHNMNVMJVLX-UHFFFAOYSA-N
Molecular Weight 418.526 g/mol
SMILES c-12nc(cs2)COCCOCCOCCOCc2nc(-c3cc1ccc3)sc2
SPLASH splash10-0fki-0293100000-92fd45fdb8596d663787
Source of Spectrum Y-36-1288-8
Wiley ID 762542