![N-[2-Benzyloxy-1-(cyclohexylmethyl)pent-4-enyl]-N-[2'-(1""""-methoxy-1""""-methylethyl)pyrrolidin-1'-yl]-acetamide](/api/spectrum/Exro4W9I9MH/structure.png?h=300&w=458 "N-[2-Benzyloxy-1-(cyclohexylmethyl)pent-4-enyl]-N-[2'-(1\"\"\"\"-methoxy-1\"\"\"\"-methylethyl)pyrrolidin-1'-yl]-acetamide")
| SpectraBase Compound ID | BpNlTZmV0wq |
|---|---|
| InChI | InChI=1S/C29H46N2O3/c1-6-14-27(34-22-25-17-11-8-12-18-25)26(21-24-15-9-7-10-16-24)31(23(2)32)30-20-13-19-28(30)29(3,4)33-5/h6,8,11-12,17-18,24,26-28H,1,7,9-10,13-16,19-22H2,2-5H3 |
| InChIKey | DKYNGNKWMUONNI-UHFFFAOYSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C29H46N2O3 |
| Exact Mass | 470.350843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Exro4W9I9MH |
|---|---|
| Name | N-[2-Benzyloxy-1-(cyclohexylmethyl)pent-4-enyl]-N-[2'-(1""""-methoxy-1""""-methylethyl)pyrrolidin-1'-yl]-acetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.350843346 u |
| Formula | C29H46N2O3 |
| InChI | InChI=1S/C29H46N2O3/c1-6-14-27(34-22-25-17-11-8-12-18-25)26(21-24-15-9-7-10-16-24)31(23(2)32)30-20-13-19-28(30)29(3,4)33-5/h6,8,11-12,17-18,24,26-28H,1,7,9-10,13-16,19-22H2,2-5H3 |
| InChIKey | DKYNGNKWMUONNI-UHFFFAOYSA-N |
| Molecular Weight | 470.698 g/mol |
| SMILES | C(N(N1C(C(OC)(C)C)CCC1)C(=O)C)(CC1CCCCC1)C(OCC=1C=CC=CC1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940915 |