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15,16,32,33-Tetrahydro-12H,19H-bis[1,2,4]triazolo[4,3-f:3,4-l]dibenzo[b,p][1,18]dioxa[8,11]dithia-[5,6,13,14,21,24]hexaazahexacosine-13,18-(14H,17H)-dione
SpectraBase Compound ID G9YYGGqqzsq
InChI InChI=1S/C26H26N10O4S2/c37-23-15-39-21-7-3-1-5-19(21)13-31-35-17-29-33-25(35)41-11-12-42-26-34-30-18-36(26)32-14-20-6-2-4-8-22(20)40-16-24(38)28-10-9-27-23/h1-8,13-14,17-18H,9-12,15-16H2,(H,27,37)(H,28,38)/b31-13+,32-14+
InChIKey WCXPPIGBJDXDCD-GCFMLEDASA-N
Mol Weight 606.68 g/mol
Molecular Formula C26H26N10O4S2
Exact Mass 606.157992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3osqt7jWC0c
Name 15,16,32,33-Tetrahydro-12H,19H-bis[1,2,4]triazolo[4,3-f:3,4-l]dibenzo[b,p][1,18]dioxa[8,11]dithia-[5,6,13,14,21,24]hexaazahexacosine-13,18-(14H,17H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N10O4S2
InChI InChI=1S/C26H26N10O4S2/c37-23-15-39-21-7-3-1-5-19(21)13-31-35-17-29-33-25(35)41-11-12-42-26-34-30-18-36(26)32-14-20-6-2-4-8-22(20)40-16-24(38)28-10-9-27-23/h1-8,13-14,17-18H,9-12,15-16H2,(H,27,37)(H,28,38)/b31-13+,32-14+
InChIKey WCXPPIGBJDXDCD-GCFMLEDASA-N
Literature Reference DOI 10.1002/hc.10191
Molecular Weight 606.680 g/mol
SMILES N1CCNC(=O)COc2ccccc2\C=N\[n]2cnnc2SCCSc2[n](\N=C\c3ccccc3OCC1=O)cnn2
SPLASH splash10-0c00-7585559000-536a5aa4cf5eef1635d2
Source of Spectrum HAC-14-556-9a
Synonyms (5E,25E)-14,15,16,17,32,33-hexahydrodibenzo[k,y]bis([1,2,4]triazolo)[4,3-o:3',4'-u][1,10,17,20,4,7,14,15,22,23]dioxadithiahexaazacyclohexacosine-13,18(12H,19H)-dione
Wiley ID 1775965