13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/ILXNAEHMTRQPBH-UHFFFAOYSA-M/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/C40H52ClN2.HI/c1-28(2)24-26-42-34-18-11-9-16-32(34)39(5,6)36(42)22-20-30-14-13-15-31(38(30)41)21-23-37-40(7,8)33-17-10-12-19-35(33)43(37)27-25-29(3)4;/h9-12,16-23,28-29H,13-15,24-27H2,1-8H3;1H/q+1;/p-1 |
|---|---|
| SMILES | CC(CCN1c2ccccc2C(/C/1=C\C=C\1/CCCC(=C1Cl)/C=C/C1=[N+](CCC(C)C)c2c(C1(C)C)cccc2)(C)C)C.[I-] |
| InChI Key | ILXNAEHMTRQPBH-UHFFFAOYSA-M |
| Molecular Formula | C40H52ClIN2 |
| Exact Mass | 723.212 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 | 70ce671c-29ff-41a4-a757-54b00431d1a4 |
| Package id | 10-14272-ilxnaehmtrqpbh-uhfffaoysa-m-chmo0000595 |
| Resource type | HTML |
| State | active |