![(1R/S)-1-[N'-(2-Cyanocyclohex-2-en-1-yl)methyleneamino]-2-[(diphenyl)(methoxy)methyl]pyrrolidine](/api/spectrum/LcPGAkWUyQN/structure.png?h=300&w=458 "(1R/S)-1-[N'-(2-Cyanocyclohex-2-en-1-yl)methyleneamino]-2-[(diphenyl)(methoxy)methyl]pyrrolidine")
| SpectraBase Compound ID | E4e05lRXSdy |
|---|---|
| InChI | InChI=1S/C26H29N3O/c1-30-26(23-13-4-2-5-14-23,24-15-6-3-7-16-24)25-17-10-18-29(25)28-20-22-12-9-8-11-21(22)19-27/h2-7,11,13-16,20,22,25H,8-10,12,17-18H2,1H3/t22?,25-/m0/s1 |
| InChIKey | UTGGLUOSBWPSBU-TUXUZCGSSA-N |
| Mol Weight | 399.54 g/mol |
| Molecular Formula | C26H29N3O |
| Exact Mass | 399.231063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LcPGAkWUyQN |
|---|---|
| Name | (1R/S)-1-[N'-(2-Cyanocyclohex-2-en-1-yl)methyleneamino]-2-[(diphenyl)(methoxy)methyl]pyrrolidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.231062565 u |
| Formula | C26H29N3O |
| InChI | InChI=1S/C26H29N3O/c1-30-26(23-13-4-2-5-14-23,24-15-6-3-7-16-24)25-17-10-18-29(25)28-20-22-12-9-8-11-21(22)19-27/h2-7,11,13-16,20,22,25H,8-10,12,17-18H2,1H3/t22?,25-/m0/s1 |
| InChIKey | UTGGLUOSBWPSBU-TUXUZCGSSA-N |
| Molecular Weight | 399.538 g/mol |
| SMILES | C([C@]1(N(N=CC2C(C#N)=CCCC2)CCC1)[H])(C=1C=CC=CC1)(C=1C=CC=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89905 |