Dataset
Diltiazem
Chemical Info
InChI | InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 |
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SMILES | CN(C)CCN(C(=O)1)c(c3)c(ccc3)SC(c(c2)ccc(OC)c2)C(OC(C)=O)1 |
InChI Key | HSUGRBWQSSZJOP-RTWAWAEBSA-N |
Molecular Formula | C22H26N2O4S |
Exact Mass | 414.161 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-WA000852 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:50:16.431011 |
MetadataModified | 2024-01-11T22:50:16.581632 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |