high-resolution mass spectrometry (HRMS)
URL: https://www.chemotion-repository.net/inchikey/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498
Dataset description:
dataset for high-resolution mass spectrometry (HRMS)\n\n
Chemical Info
| InChI | InChI=1S/C36H24Br3N9O6/c1-52-34(49)28-31(46-16-25(40-43-46)19-4-10-22(37)11-5-19)29(35(50)53-2)33(48-18-27(42-45-48)21-8-14-24(39)15-9-21)30(36(51)54-3)32(28)47-17-26(41-44-47)20-6-12-23(38)13-7-20/h4-18H,1-3H3 |
|---|---|
| SMILES | COC(=O)c1c(n2nnc(c2)c2ccc(cc2)Br)c(C(=O)OC)c(c(c1n1nnc(c1)c1ccc(cc1)Br)C(=O)OC)n1nnc(c1)c1ccc(cc1)Br |
| InChI Key | HIJXLLJBVNQJME-UHFFFAOYSA-N |
| Molecular Formula | C36H24Br3N9O6 |
| Exact Mass | 918.344 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | d8c29167-7c1b-485a-bd38-9148beafde8b |
| Package id | 10-14272-hijxlljbvnqjme-uhfffaoysa-n-chmo0000498 |
| Resource type | HTML |
| State | active |