| SpectraBase Compound ID | EuP8XTvET0K |
|---|---|
| InChI | InChI=1S/C19H28O6S2/c20-16-17-1-2-18-19(15-17)25-10-14-27-12-8-23-6-4-21-3-5-22-7-11-26-13-9-24-18/h1-2,15-16H,3-14H2 |
| InChIKey | IIAIJFNGRDYCAL-UHFFFAOYSA-N |
| Mol Weight | 416.55 g/mol |
| Molecular Formula | C19H28O6S2 |
| Exact Mass | 416.132731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CVgrZQiEFXx |
|---|---|
| Name | 4-Formylbenzo-(1',7',10',13',19'-pentaoxa-4',16'-dithiacyclo-heneicosane) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H28O6S2 |
| InChI | InChI=1S/C19H28O6S2/c20-16-17-1-2-18-19(15-17)25-10-14-27-12-8-23-6-4-21-3-5-22-7-11-26-13-9-24-18/h1-2,15-16H,3-14H2 |
| InChIKey | IIAIJFNGRDYCAL-UHFFFAOYSA-N |
| Molecular Weight | 416.547 g/mol |
| SMILES | c12c(OCCSCCOCCOCCOCCSCCO2)ccc(c1)C=O |
| SPLASH | splash10-03dr-9800100000-155498ab418fb169a346 |
| Source of Spectrum | QF-49-1857-3 |
| Synonyms | 2,3,5,6,8,9,11,12,14,15,17,18-dodecahydro-1,4,10,13,16,7,19-benzopentaoxadithiacyclohenicosin-20-carbaldehyde 4'-Formylbenzo-1,10-dithia-4,7,13,16,19-pentaoxa-21-crown-7 4'-Formylbenzopentaoxa-dithia-21-crown-7 2,8,11,14,20-pentaoxa-5,17-dithiabicyclo[19.4.0]pentacosa-1(21),22,24-triene-23-carboxaldehyde |
| Wiley ID | 1547953 |