mass spectrometry (MS)
URL: https://www.chemotion-repository.net/inchikey/JUPNGBZPIIBWPB-UHFFFAOYSA-N/CHMO0000470
Chemical Info
| InChI | InChI=1S/C113H125N9/c1-104(2,3)67-35-45-87-77(55-67)78-56-68(105(4,5)6)36-46-88(78)118(87)98-97(65-31-33-66(34-32-65)103-114-116-117-115-103)99(119-89-47-37-69(106(7,8)9)57-79(89)80-58-70(107(10,11)12)38-48-90(80)119)101(121-93-51-41-73(110(19,20)21)61-83(93)84-62-74(111(22,23)24)42-52-94(84)121)102(122-95-53-43-75(112(25,26)27)63-85(95)86-64-76(113(28,29)30)44-54-96(86)122)100(98)120-91-49-39-71(108(13,14)15)59-81(91)82-60-72(109(16,17)18)40-50-92(82)120/h31-64H,1-30H3,(H,114,115,116,117) |
|---|---|
| SMILES | CC(c1ccc2c(c1)c1cc(ccc1n2c1c(c2ccc(cc2)c2nn[nH]n2)c(n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)c(c(c1n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C |
| InChI Key | JUPNGBZPIIBWPB-UHFFFAOYSA-N |
| Molecular Formula | C113H125N9 |
| Exact Mass | 1609.262 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 | b31b7075-2866-4b57-b371-3c0d413fc93e |
| Package id | 10-14272-jupngbzpiibwpb-uhfffaoysa-n-chmo0000470 |
| Resource type | HTML |
| State | active |