Dataset
Amiodarone
Chemical Info
InChI | InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 |
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SMILES | CCCCc(o2)c(c(c3)c(ccc3)2)C(=O)c(c1)cc(I)c(OCCN(CC)CC)c(I)1 |
InChI Key | IYIKLHRQXLHMJQ-UHFFFAOYSA-N |
Molecular Formula | C25H29I2NO3 |
Exact Mass | 645.024 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001190 |
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Author | |
Maintainer | |
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MetadataCreated | 2024-01-11T22:50:33.660245 |
MetadataModified | 2024-01-11T22:50:33.823838 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |