Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C20H20BrNO3/c21-16-8-4-9-17-15(16)12-18(19-10-5-11-24-19)22(17)20(23)25-13-14-6-2-1-3-7-14/h1-7,9-11,15-18H,8,12-13H2/t15-,16?,17+,18+/m1/s1 |
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SMILES | BrC1CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1 |
InChI Key | YZIVJRPJMXCFQS-VGKGQJMESA-N |
Molecular Formula | C20H20BrNO3 |
Exact Mass | 402.282 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/YZIVJRPJMXCFQS-VGKGQJMESA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YZIVJRPJMXCFQS-VGKGQJMESA-N/Mass/EI |
Version | |
Author | Paul Sauter |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:58:25.386150 |
MetadataModified | 2024-09-07T13:23:44.603351 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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73427491 | PubChem |
The data in this table is sourced from UniChem at EBI. |