| SpectraBase Spectrum ID |
1pPIvQxETQ |
| Name |
Diethyl 2,2'-({3,3'-[(butane-1,3-diylbis(oxy))bis(2,1-phenylene)]bis-(2-cyanoacryloyl)}bis(azanediyl))bis(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate) |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H46N4O8S2 |
| InChI |
InChI=1S/C46H46N4O8S2/c1-3-55-45(53)39-33-17-7-11-21-37(33)59-43(39)49-41(51)31(27-47)25-29-15-5-9-19-35(29)57-23-13-14-24-58-36-20-10-6-16-30(36)26-32(28-48)42(52)50-44-40(46(54)56-4-2)34-18-8-12-22-38(34)60-44/h5-6,9-10,15-16,19-20,25-26H,3-4,7-8,11-14,17-18,21-24H2,1-2H3,(H,49,51)(H,50,52) |
| InChIKey |
HPRHXSWYYFKPOB-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu Qp-2010 plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ardp.202000069 |
| Molecular Weight |
847.014 g/mol |
| SMILES |
N(C(C(=Cc1c(OCCCCOc2c(C=C(C(=O)Nc3c(C(=O)OCC)c4CCCCc4s3)C#N)cccc2)cccc1)C#N)=O)c1sc2c(CCCC2)c1C(=O)OCC |
| SPLASH |
splash10-05i3-7983020000-46cecb964595aeeb8092 |
| Source of Spectrum |
APC-353-SM9-9 |
| Wiley ID |
1855785 |
![Diethyl 2,2'-({3,3'-[(butane-1,3-diylbis(oxy))bis(2,1-phenylene)]bis-(2-cyanoacryloyl)}bis(azanediyl))bis(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate)](/api/spectrum/1pPIvQxETQ/structure.png?h=300&w=458 "Diethyl 2,2'-({3,3'-[(butane-1,3-diylbis(oxy))bis(2,1-phenylene)]bis-(2-cyanoacryloyl)}bis(azanediyl))bis(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate)")
