| SpectraBase Compound ID | AoRzW3RI9q5 |
|---|---|
| InChI | InChI=1S/C40H30N4O6/c45-33(23-17-25-9-3-1-4-10-25)41-31-15-7-13-29-35(31)39(49)43(37(29)47)27-19-21-28(22-20-27)44-38(48)30-14-8-16-32(36(30)40(44)50)42-34(46)24-18-26-11-5-2-6-12-26/h1-12,15-16,19-22,29-32,35-36H,13-14H2,(H,41,45)(H,42,46)/t29-,30+,31+,32-,35-,36+ |
| InChIKey | DJCSIGDLHOWPNE-NVTCSQRUSA-N |
| Mol Weight | 662.7 g/mol |
| Molecular Formula | C40H30N4O6 |
| Exact Mass | 662.216535 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2BhhGccI7A7 |
|---|---|
| Name | 1,4-Di-(N-(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)-3-phenylpropiolamide)phenylene |
| Alternate Name(s) | N-[(3aR,4S,7aR)-2-[4-[(3aS,4R,7aS)-1,3-dioxo-4-[(1-oxo-3-phenylprop-2-ynyl)amino]-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]-3-phenyl-2-propynamide N-[(3aR,4S,7aR)-2-[4-[(3aS,4R,7aS)-1,3-dioxo-4-(3-phenylprop-2-ynoylamino)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]-3-phenylprop-2-ynamide N-[(3aR,4S,7aR)-2-[4-[(3aS,4R,7aS)-1,3-dioxo-4-(3-phenylprop-2-ynoylamino)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]-3-phenyl-prop-2-ynamide N-[(3aR,4S,7aR)-2-[4-[(3aS,4R,7aS)-1,3-bis(oxidanylidene)-4-(3-phenylprop-2-ynoylamino)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl]-3-phenyl-prop-2-ynamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H30N4O6 |
| InChI | InChI=1S/C40H30N4O6/c45-33(23-17-25-9-3-1-4-10-25)41-31-15-7-13-29-35(31)39(49)43(37(29)47)27-19-21-28(22-20-27)44-38(48)30-14-8-16-32(36(30)40(44)50)42-34(46)24-18-26-11-5-2-6-12-26/h1-12,15-16,19-22,29-32,35-36H,13-14H2,(H,41,45)(H,42,46)/t29-,30+,31+,32-,35-,36+ |
| InChIKey | DJCSIGDLHOWPNE-NVTCSQRUSA-N |
| Molecular Weight | 662.702 g/mol |
| SMILES | N([C@@]1([C@@]2(C(N(c3ccc(N4C([C@@]5([C@@](C=CC[C@@]5(C4=O)[H])(NC(C#Cc4ccccc4)=O)[H])[H])=O)cc3)C([C@@]2(CC=C1)[H])=O)=O)[H])[H])C(C#Cc1ccccc1)=O |
| SPLASH | splash10-004i-1920110000-948c279668c696d49e2f |
| Source of Spectrum | KC-61-11341-12 |
| Wiley ID | 1631332 |