| SpectraBase Compound ID | APPNIKkudSC |
|---|---|
| InChI | InChI=1S/C18H29NO3/c1-6-8-9-19-14(3)11-15-12-16(20-4)18(22-10-7-2)17(13-15)21-5/h7,12-14,19H,2,6,8-11H2,1,3-5H3 |
| InChIKey | HDEOLZLAEVVMCV-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 | 5zdETEYvDj2 |
|---|---|
| Name | 3C-al bu |
| 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/c1-6-8-9-19-14(3)11-15-12-16(20-4)18(22-10-7-2)17(13-15)21-5/h7,12-14,19H,2,6,8-11H2,1,3-5H3 |
| InChIKey | HDEOLZLAEVVMCV-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCCCC)C)OC)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93517 |