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2,2',2"-(1,3,5-Benzenetriyl)tris[5-(hydroxypentylimino)-4,5-dihydro-4-methyl-1,3,4-thiazole]
SpectraBase Compound ID ErGorUz2khM
InChI InChI=1S/C30H45N9O3S3/c1-37-28(31-13-7-4-10-16-40)43-25(34-37)22-19-23(26-35-38(2)29(44-26)32-14-8-5-11-17-41)21-24(20-22)27-36-39(3)30(45-27)33-15-9-6-12-18-42/h19-21,40-42H,4-18H2,1-3H3/b31-28-,32-29-,33-30+
InChIKey RQWXEFRMMSZKBN-BQGSRCQNSA-N
Mol Weight 675.9 g/mol
Molecular Formula C30H45N9O3S3
Exact Mass 675.28075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39LkvTQUBQc
Name 2,2',2"-(1,3,5-Benzenetriyl)tris[5-(hydroxypentylimino)-4,5-dihydro-4-methyl-1,3,4-thiazole]
Alternate Name(s) 2,2',2''-(1,3,5-Benzenetriyl)tris[5-(hydroxypentylimino)-4,5-dihydro-4-methyl-1,3,4-thiadiazole]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H45N9O3S3
InChI InChI=1S/C30H45N9O3S3/c1-37-28(31-13-7-4-10-16-40)43-25(34-37)22-19-23(26-35-38(2)29(44-26)32-14-8-5-11-17-41)21-24(20-22)27-36-39(3)30(45-27)33-15-9-6-12-18-42/h19-21,40-42H,4-18H2,1-3H3/b31-28-,32-29-,33-30+
InChIKey RQWXEFRMMSZKBN-BQGSRCQNSA-N
Molecular Weight 675.930 g/mol
SMILES OCCCCC\N=C\1SC(c2cc(C=3S\C(=N/CCCCCO)N(N3)C)cc(c2)C=2S\C(=N/CCCCCO)N(N2)C)=NN1C
SPLASH splash10-00di-4900000000-1271cfb5258c4d51bc48
Source of Spectrum H1-36-1275-10
Wiley ID 755359