atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/GNLDMLVTJDNLDD-QMHKHESXSA-N/CHMO0000473
Dataset description:
dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)\n\n
Source: atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
| InChI | InChI=1S/C23H19BrO5/c1-11-7-16-20(27)13-5-3-4-6-14(13)21(28)23(16,10-12(11)2)22(29)15-8-18(25)19(26)9-17(15)24/h3-6,8-9,16,25-26H,7,10H2,1-2H3/t16-,23+/m0/s1 |
|---|---|
| SMILES | CC1=C(C)C[C@]2([C@@H](C1)C(=O)c1ccccc1C2=O)C(=O)c1cc(O)c(cc1Br)O |
| InChI Key | GNLDMLVTJDNLDD-QMHKHESXSA-N |
| Molecular Formula | C23H19BrO5 |
| Exact Mass | 455.298 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 9a9e1796-964a-4de4-89b7-691680145d19 |
| Package id | 10-14272-gnldmlvtjdnldd-qmhkhesxsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |