| SpectraBase Compound ID | HUGOoCat7vZ |
|---|---|
| InChI | InChI=1S/C19H12F14N2O2/c1-8(34-12(36)14(20,21)16(24,25)18(28,29)30)6-9-2-3-10-4-5-35(11(10)7-9)13(37)15(22,23)17(26,27)19(31,32)33/h2-5,7-8H,6H2,1H3,(H,34,36) |
| InChIKey | MGTVRKUNSASIBE-UHFFFAOYSA-N |
| Mol Weight | 566.29 g/mol |
| Molecular Formula | C19H12F14N2O2 |
| Exact Mass | 566.067522 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8GYXSMfMlJA |
|---|---|
| Name | 6-APIN 2HFB |
| Classification | 6-Aminoethyindol derivative |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 566.067521914 u |
| Formula | C19H12F14N2O2 |
| InChI | InChI=1S/C19H12F14N2O2/c1-8(34-12(36)14(20,21)16(24,25)18(28,29)30)6-9-2-3-10-4-5-35(11(10)7-9)13(37)15(22,23)17(26,27)19(31,32)33/h2-5,7-8H,6H2,1H3,(H,34,36) |
| InChIKey | MGTVRKUNSASIBE-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 566.295 g/mol |
| Nominal Mass | 566 u |
| Quality | 949 |
| Retention Index | 2349 |
| SMILES | C(C(C(N1C2=C(C=C1)C=CC(=C2)CC(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C)=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH | splash10-004i-5925000000-1c3107ab6a4084a66bbb |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 6-API 2HFB 6-IT 2HFB 1-Heptafluorobutyryl-6-(N-heptafluorobutyryl-2-aminopropyl)indole |
| Technique | GC/MS |
| Wiley ID | DD2024_016388 |