| SpectraBase Compound ID | AO57SzBcZCj |
|---|---|
| InChI | InChI=1S/C27H46N2O4/c1-17(2)22-13-11-19(5)15-24(22)32-26(30)28-29(21-9-7-8-10-21)27(31)33-25-16-20(6)12-14-23(25)18(3)4/h7,9,17-25H,8,10-16H2,1-6H3,(H,28,30)/t19-,20-,21?,22+,23+,24-,25-/m1/s1 |
| InChIKey | XFJVGDDTKINMEB-WCWQHKCISA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C27H46N2O4 |
| Exact Mass | 462.345758 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5ra1wYQ7VjL |
|---|---|
| Name | di-(1R,2S,5R)-(-)-menthyl (E)-1-(2'-cyclopenten-1'-yl)-1,2-diazanedicarboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.345757965 u |
| Formula | C27H46N2O4 |
| InChI | InChI=1S/C27H46N2O4/c1-17(2)22-13-11-19(5)15-24(22)32-26(30)28-29(21-9-7-8-10-21)27(31)33-25-16-20(6)12-14-23(25)18(3)4/h7,9,17-25H,8,10-16H2,1-6H3,(H,28,30)/t19-,20-,21?,22+,23+,24-,25-/m1/s1 |
| InChIKey | XFJVGDDTKINMEB-WCWQHKCISA-N |
| Molecular Weight | 462.675 g/mol |
| SMILES | C(N(NC(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)C1C=CCC1)(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89768 |