Dataset
atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
InChI | InChI=1S/C16H15NO4/c1-20-11-7-10(8-12(9-11)21-2)16(19)14-6-4-3-5-13(14)15(18)17-16/h3-9,19H,1-2H3,(H,17,18) |
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SMILES | COc1cc(OC)cc(c1)C1(O)NC(=O)c2c1cccc2 |
InChI Key | ZFINTMDLLYCINT-UHFFFAOYSA-N |
Molecular Formula | C16H15NO4 |
Exact Mass | 285.295 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ZFINTMDLLYCINT-UHFFFAOYSA-N/CHMO0000473 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ZFINTMDLLYCINT-UHFFFAOYSA-N/CHMO0000473 |
Version | |
Author | Georg Manolikakes |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:11:08.193543 |
MetadataModified | 2024-09-08T02:11:08.193549 |
MetadataPublished | 2023-12-15 |
Field | Value |
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Measurement Technique | atmospheric pressure chemical ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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122392069 | PubChem |
J3.416.859H | Nikkaji |
The data in this table is sourced from UniChem at EBI. |