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2,5,8-Tris(didodectylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole

View entire compound with spectra: 1 MS (GC)

2,5,8-Tris(didodectylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole
SpectraBase Compound ID 9pJ9ZNdDgmr
InChI InChI=1S/C81H150N6S3/c1-7-13-19-25-31-37-43-49-55-61-67-85(68-62-56-50-44-38-32-26-20-14-8-2)79-82-73-76(88-79)74-78(90-80(83-74)86(69-63-57-51-45-39-33-27-21-15-9-3)70-64-58-52-46-40-34-28-22-16-10-4)75-77(73)89-81(84-75)87(71-65-59-53-47-41-35-29-23-17-11-5)72-66-60-54-48-42-36-30-24-18-12-6/h7-72H2,1-6H3
InChIKey YFCQYRABTGCOEA-UHFFFAOYSA-N
Mol Weight 1304.3 g/mol
Molecular Formula C81H150N6S3
Exact Mass 1303.108412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqLz9Hz0Ble
Name 2,5,8-Tris(didodectylamino)benzo[1,2-d:3,4-d':5,6-d"]tristhiazole
Alternate Name(s) 2,5,8-Tris(didodectylamino)benzo[1,2-d:3,4-d':5,6-d'']tristhiazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C81H150N6S3
InChI InChI=1S/C81H150N6S3/c1-7-13-19-25-31-37-43-49-55-61-67-85(68-62-56-50-44-38-32-26-20-14-8-2)79-82-73-76(88-79)74-78(90-80(83-74)86(69-63-57-51-45-39-33-27-21-15-9-3)70-64-58-52-46-40-34-28-22-16-10-4)75-77(73)89-81(84-75)87(71-65-59-53-47-41-35-29-23-17-11-5)72-66-60-54-48-42-36-30-24-18-12-6/h7-72H2,1-6H3
InChIKey YFCQYRABTGCOEA-UHFFFAOYSA-N
Molecular Weight 1304.313 g/mol
SMILES c12c(c3nc(N(CCCCCCCCCCCC)CCCCCCCCCCCC)sc3c3c2sc(N(CCCCCCCCCCCC)CCCCCCCCCCCC)n3)sc(n1)N(CCCCCCCCCCCC)CCCCCCCCCCCC
SPLASH splash10-0zfr-0009000000-f0223cf435a7418c5f40
Source of Spectrum SO-0-981-2
Wiley ID 875643