SpectraBase Compound ID | 5MGBZjaNWO9 |
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InChI | InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 |
InChIKey | HDOZVRUNCMBHFH-UHFFFAOYSA-N |
Mol Weight | 331.86 g/mol |
Molecular Formula | C18H18ClNOS |
Exact Mass | 331.079763 g/mol |
Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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Source of Sample | Sigma-Aldrich Company LLC |
Source of Spectrum | Forensic Spectral Research |
Catalog Number | Z0877 |
Technique | KBr0 |
This compound is available in the following databases:
The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.
Identification of trace drugs, poisons, and pollutants requires broad coverage of specific compound classes: metabolites, acetylated, methylated, trimethylsilylated, trifluoroacetylated, pentafluoropropionylated, and heptafluorobutyrylated compounds. Learn more.
Developed by toxicologist Hans H. Maurer and his team, the Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites consists of spectra for parent drugs or poisons, and their metabolites or artifacts, in various compound classification groups. This metabolite-based library helps minimize the risk of false negative LC-MS results. Learn more.
Vendor/Supplier | Catalog Number |
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Sigma-Aldrich Company LLC |
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