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1-(2'-Benzothiazolyl)ethenyl-5-amino-1,4,7,10,13-pentaoxabenzo[3,4-b][15-crown-5]
SpectraBase Compound ID 2kSxdr4Owu
InChI InChI=1S/C23H26N2O5S/c24-18-3-5-22-19(16-18)25-23(31-22)6-2-17-1-4-20-21(15-17)30-14-12-28-10-8-26-7-9-27-11-13-29-20/h1-6,15-16H,7-14,24H2/b6-2+
InChIKey AQDMUOWHCVPAKO-QHHAFSJGSA-N
Mol Weight 442.53 g/mol
Molecular Formula C23H26N2O5S
Exact Mass 442.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wDeE3hgrvP
Name 1-(2'-Benzothiazolyl)ethenyl-5-amino-1,4,7,10,13-pentaoxabenzo[3,4-b][15-crown-5]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O5S
InChI InChI=1S/C23H26N2O5S/c24-18-3-5-22-19(16-18)25-23(31-22)6-2-17-1-4-20-21(15-17)30-14-12-28-10-8-26-7-9-27-11-13-29-20/h1-6,15-16H,7-14,24H2/b6-2+
InChIKey AQDMUOWHCVPAKO-QHHAFSJGSA-N
Molecular Weight 442.530 g/mol
SMILES Nc1cc2nc(sc2cc1)\C=C\c1cc2OCCOCCOCCOCCOc2cc1
SPLASH splash10-0a4i-9301200000-83a80534840c24579131
Source of Spectrum CV-2003-373-3
Wiley ID 1610902