Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-3-15(4-8-17)21-11-20(14-26)22(12-19(21)13-25)16-5-9-18(10-6-16)24(28)30-2/h3-12H,13-14H2,1-2H3 |
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SMILES | BrCc1cc(c(cc1c1ccc(cc1)C(=O)OC)CBr)c1ccc(cc1)C(=O)OC |
InChI Key | BHYVLCMZDJPYAR-UHFFFAOYSA-N |
Molecular Formula | C24H20Br2O4 |
Exact Mass | 532.221 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/BHYVLCMZDJPYAR-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/BHYVLCMZDJPYAR-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Sylvain Grosjean |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:40:40.146934 |
MetadataModified | 2024-09-07T12:03:42.945323 |
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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73427281 | PubChem |
The data in this table is sourced from UniChem at EBI. |