Dataset
Dinitrocresol
Chemical Info
InChI | InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3 |
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SMILES | [O-1][N+1](=O)c(c1)cc([N+1]([O-1])=O)c(O)c(C)1 |
InChI Key | ZXVONLUNISGICL-UHFFFAOYSA-N |
Molecular Formula | C7H6N2O5 |
Exact Mass | 198.028 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-WA002754 |
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Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:49:47.241373 |
MetadataModified | 2024-01-11T22:49:47.402782 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |