![1H-Isoindole-1,3(2H)-dione, hexahydro-2-[4-[2-[[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]phenyl]-](/api/spectrum/69Fc11OTkAK/structure.png?h=300&w=458 "1H-Isoindole-1,3(2H)-dione, hexahydro-2-[4-[2-[[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]phenyl]-")
| SpectraBase Compound ID | BJMXlJKQ7T3 |
|---|---|
| InChI | InChI=1S/C26H26N4O4S/c1-29-23(15-34-19-7-3-2-4-8-19)27-28-26(29)35-16-22(31)17-11-13-18(14-12-17)30-24(32)20-9-5-6-10-21(20)25(30)33/h2-4,7-8,11-14,20-21H,5-6,9-10,15-16H2,1H3 |
| InChIKey | RIGORQOSYOJSSX-UHFFFAOYSA-N |
| Mol Weight | 490.58 g/mol |
| Molecular Formula | C26H26N4O4S |
| Exact Mass | 490.167477 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 69Fc11OTkAK |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, hexahydro-2-[4-[2-[[4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]phenyl]- |
| Alternate Name(s) | 2-[4-[2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione 2-[4-[2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione 2-[4-[2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H26N4O4S |
| InChI | InChI=1S/C26H26N4O4S/c1-29-23(15-34-19-7-3-2-4-8-19)27-28-26(29)35-16-22(31)17-11-13-18(14-12-17)30-24(32)20-9-5-6-10-21(20)25(30)33/h2-4,7-8,11-14,20-21H,5-6,9-10,15-16H2,1H3 |
| InChIKey | RIGORQOSYOJSSX-UHFFFAOYSA-N |
| Molecular Weight | 490.578 g/mol |
| SMILES | c1ccc(OCc2[n](c(SCC(c3ccc(N4C(C5CCCCC5C4=O)=O)cc3)=O)nn2)C)cc1 |
| SPLASH | splash10-0adl-9310000000-e15b8a7d41dee174f4a9 |
| Source of Spectrum | IY-1-4690-8 |
| Wiley ID | 1654891 |