| SpectraBase Spectrum ID |
JQ0yb0dizNe |
| Name |
N,N',N''-(5,5',5''-(2,2',2''-(Benzene-1,3,5-triyltris(methylene)tris(oxy)tris-(benzene-2,1-diyl))tris(4-acetyl-4,5-dihydro-1,3,4-thiadiazole-5,2-diyl))-triacetamide |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H45N9O9S3 |
| InChI |
InChI=1S/C45H45N9O9S3/c1-25(55)46-43-49-52(28(4)58)40(64-43)34-13-7-10-16-37(34)61-22-31-19-32(23-62-38-17-11-8-14-35(38)41-53(29(5)59)50-44(65-41)47-26(2)56)21-33(20-31)24-63-39-18-12-9-15-36(39)42-54(30(6)60)51-45(66-42)48-27(3)57/h7-21,40-42H,22-24H2,1-6H3,(H,46,49,55)(H,47,50,56)(H,48,51,57) |
| InChIKey |
GIPLEYZXLSXNGR-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2629 |
| Molecular Weight |
952.089 g/mol |
| SMILES |
N(C1=NN(C(c2c(OCc3cc(cc(COc4c(C5N(N=C(S5)NC(C)=O)C(C)=O)cccc4)c3)COc3ccccc3C3N(N=C(S3)NC(C)=O)C(=O)C)cccc2)S1)C(=O)C)C(C)=O |
| SPLASH |
splash10-0udi-0010200096-fdcf03e8416453aa202d |
| Source of Spectrum |
Y-54-593-20 |
| Wiley ID |
1877895 |
