Dataset
Raloxifene
Chemical Info
InChI | InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 |
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SMILES | Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 |
InChI Key | GZUITABIAKMVPG-UHFFFAOYSA-N |
Molecular Formula | C28H27NO4S |
Exact Mass | 473.166 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM853603 |
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Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:42:00.879922 |
MetadataModified | 2024-01-11T12:42:01.028947 |
MetadataPublished | 2016-12-12 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |