| SpectraBase Compound ID | 5BMZHqDEKNp |
|---|---|
| InChI | InChI=1S/C25H33NO3S/c1-2-3-6-11-29-23-9-10-24(22-8-5-4-7-21(22)23)30(27,28)26-25-15-18-12-19(16-25)14-20(13-18)17-25/h4-5,7-10,18-20,26H,2-3,6,11-17H2,1H3/t18-,19+,20-,25- |
| InChIKey | KDLJELWGBJUNBO-UWIHHVNISA-N |
| Mol Weight | 427.6 g/mol |
| Molecular Formula | C25H33NO3S |
| Exact Mass | 427.218115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Jmad9kCD6u |
|---|---|
| Name | A-PONASA |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 427.218115098 u |
| Formula | C25H33NO3S |
| InChI | InChI=1S/C25H33NO3S/c1-2-3-6-11-29-23-9-10-24(22-8-5-4-7-21(22)23)30(27,28)26-25-15-18-12-19(16-25)14-20(13-18)17-25/h4-5,7-10,18-20,26H,2-3,6,11-17H2,1H3/t18-,19+,20-,25- |
| InChIKey | KDLJELWGBJUNBO-UWIHHVNISA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 427.603 g/mol |
| Nominal Mass | 427 u |
| Quality | 997 |
| Retention Index | 3243 |
| SMILES | C12(NS(C=3C=4C(C(=CC3)OCCCCC)=CC=CC4)(=O)=O)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| SPLASH | splash10-052o-5931100000-57e61673c7b729349f0d |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 4-(pentyloxy)-N-(tricyclo[3.3.1.13,7]dec-1-yl)naphthalene-1-sulfonamide |
| Technique | GC/MS |
| Wiley ID | DD2024_034381 |