| SpectraBase Compound ID | D0S9dHph6sb |
|---|---|
| InChI | InChI=1S/C42H54N6O3/c43-37(28-31-13-4-1-5-14-31)40(49)46-22-10-19-34-25-35(20-11-23-47-41(50)38(44)29-32-15-6-2-7-16-32)27-36(26-34)21-12-24-48-42(51)39(45)30-33-17-8-3-9-18-33/h1-9,13-18,25-27,37-39H,10-12,19-24,28-30,43-45H2,(H,46,49)(H,47,50)(H,48,51) |
| InChIKey | MVYUCKWPORMDEE-UHFFFAOYSA-N |
| Mol Weight | 690.9 g/mol |
| Molecular Formula | C42H54N6O3 |
| Exact Mass | 690.42574 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3WCFzWPYuyt |
|---|---|
| Name | 1,3,5-Tris(L-2-amino-3-phenyl-N-propylpropionamide)benzene tristrifluoroacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H54N6O3 |
| InChI | InChI=1S/C42H54N6O3/c43-37(28-31-13-4-1-5-14-31)40(49)46-22-10-19-34-25-35(20-11-23-47-41(50)38(44)29-32-15-6-2-7-16-32)27-36(26-34)21-12-24-48-42(51)39(45)30-33-17-8-3-9-18-33/h1-9,13-18,25-27,37-39H,10-12,19-24,28-30,43-45H2,(H,46,49)(H,47,50)(H,48,51) |
| InChIKey | MVYUCKWPORMDEE-UHFFFAOYSA-N |
| Molecular Weight | 690.933 g/mol |
| SMILES | NC(C(=O)NCCCc1cc(CCCNC(C(Cc2ccccc2)N)=O)cc(c1)CCCNC(C(Cc1ccccc1)N)=O)Cc1ccccc1 |
| SPLASH | splash10-01ox-9000050000-bb84fd15efb7b7e7c134 |
| Source of Spectrum | QF-10-1184-13 |
| Wiley ID | 1559344 |