| SpectraBase Compound ID | 9aHqCc4jkDx |
|---|---|
| InChI | InChI=1S/C18H29NO3/c1-7-10-22-15-12-17(20-5)16(18(13-15)21-6)11-14(4)19(8-2)9-3/h7,12-14H,1,8-11H2,2-6H3 |
| InChIKey | GNRJRGVOBBFVQF-UHFFFAOYSA-N |
| Mol Weight | 307.43 g/mol |
| Molecular Formula | C18H29NO3 |
| Exact Mass | 307.214744 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ZmFTj7gdm3 |
|---|---|
| Name | psi-Malm 2et |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.214743795 u |
| Formula | C18H29NO3 |
| InChI | InChI=1S/C18H29NO3/c1-7-10-22-15-12-17(20-5)16(18(13-15)21-6)11-14(4)19(8-2)9-3/h7,12-14H,1,8-11H2,2-6H3 |
| InChIKey | GNRJRGVOBBFVQF-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1OC)OCC=C)OC)CC(N(CC)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919413 |