| SpectraBase Compound ID | Eh9BKo6gc5k |
|---|---|
| InChI | InChI=1S/C16H27NO/c1-5-10-17(11-6-2)12-9-15-7-8-16(18-4)14(3)13-15/h7-8,13H,5-6,9-12H2,1-4H3 |
| InChIKey | DJGHJKYDJHTXKS-UHFFFAOYSA-N |
| Mol Weight | 249.4 g/mol |
| Molecular Formula | C16H27NO |
| Exact Mass | 249.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1hATNualdLV |
|---|---|
| Name | 3-me-4-meo-pea 2pr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.209264492 u |
| Formula | C16H27NO |
| InChI | InChI=1S/C16H27NO/c1-5-10-17(11-6-2)12-9-15-7-8-16(18-4)14(3)13-15/h7-8,13H,5-6,9-12H2,1-4H3 |
| InChIKey | DJGHJKYDJHTXKS-UHFFFAOYSA-N |
| Molecular Weight | 249.398 g/mol |
| SMILES | C=1(C(=CC(=CC1)CCN(CCC)CCC)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966136 |