13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/MXHYQOWIOCQRCN-UHFFFAOYSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C107H120N6/c1-98(2,3)62-31-41-83-72(51-62)73-52-63(99(4,5)6)32-42-84(73)109(83)93-82(61-108)94(110-85-43-33-64(100(7,8)9)53-74(85)75-54-65(101(10,11)12)34-44-86(75)110)96(112-89-47-37-68(104(19,20)21)57-78(89)79-58-69(105(22,23)24)38-48-90(79)112)97(113-91-49-39-70(106(25,26)27)59-80(91)81-60-71(107(28,29)30)40-50-92(81)113)95(93)111-87-45-35-66(102(13,14)15)55-76(87)77-56-67(103(16,17)18)36-46-88(77)111/h31-60H,1-30H3 |
|---|---|
| SMILES | N#Cc1c(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)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C |
| InChI Key | MXHYQOWIOCQRCN-UHFFFAOYSA-N |
| Exact Mass | 1490.138 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 | 1c15b288-24a0-4f62-b05c-a22564707b4b |
| Package id | 10-14272-mxhyqowiocqrcn-uhfffaoysa-n-chmo0000595 |
| Resource type | HTML |
| State | active |