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5,6,7,8,9,10-Hexahydro-2H,20H-thioxantheno[2,3-b]-(1,4-dioxa-7,10,13-triaza)cyclopentadecene-3,11,20(4H,12H)-trione
SpectraBase Compound ID A2QBt8nY4lX
InChI InChI=1S/C21H21N3O5S/c25-19-11-28-15-9-14-18(30-17-4-2-1-3-13(17)21(14)27)10-16(15)29-12-20(26)24-8-6-22-5-7-23-19/h1-4,9-10,22H,5-8,11-12H2,(H,23,25)(H,24,26)
InChIKey LVEHJTIBUXLREY-UHFFFAOYSA-N
Mol Weight 427.48 g/mol
Molecular Formula C21H21N3O5S
Exact Mass 427.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tC0659z7S8
Name 5,6,7,8,9,10-Hexahydro-2H,20H-thioxantheno[2,3-b]-(1,4-dioxa-7,10,13-triaza)cyclopentadecene-3,11,20(4H,12H)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O5S
InChI InChI=1S/C21H21N3O5S/c25-19-11-28-15-9-14-18(30-17-4-2-1-3-13(17)21(14)27)10-16(15)29-12-20(26)24-8-6-22-5-7-23-19/h1-4,9-10,22H,5-8,11-12H2,(H,23,25)(H,24,26)
InChIKey LVEHJTIBUXLREY-UHFFFAOYSA-N
Molecular Weight 427.475 g/mol
SMILES N1CCNCCNC(COc2cc3C(c4c(cccc4)Sc3cc2OCC1=O)=O)=O
SPLASH splash10-0a4i-8292000000-d7e76edb360b304bece8
Source of Spectrum H-90-1382-7
Wiley ID 1590778