| SpectraBase Spectrum ID |
Do1ROfLXvIO |
| Name |
Amiodarone-A II |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
420.022239404 u |
| Formula |
C19H17IO3 |
| InChI |
InChI=1S/C19H17IO3/c1-2-3-7-17-18(13-6-4-5-8-16(13)23-17)19(22)12-9-10-15(21)14(20)11-12/h4-6,8-11,21H,2-3,7H2,1H3 |
| InChIKey |
SPJWRQCARFHMEB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
420.246 g/mol |
| Nominal Mass |
420 u |
| Quality |
1000 |
| Retention Index |
2813 |
| SMILES |
OC1=C(C=C(C(C=2C=3C(OC2CCCC)=CC=CC3)=O)C=C1)I |
| SPLASH |
splash10-0hba-1393200000-801bccb006ce07b357cc |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2-butyl-1-benzofuran-3-yl)(4-hydroxy-3-iodophenyl)methanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024742 |
