| SpectraBase Compound ID | 9Tw5lhdqN1 |
|---|---|
| InChI | InChI=1S/C13H21NO/c1-4-8-14-9-7-12-5-6-13(15-3)11(2)10-12/h5-6,10,14H,4,7-9H2,1-3H3 |
| InChIKey | HRRKBKNMKUGZJI-UHFFFAOYSA-N |
| Mol Weight | 207.32 g/mol |
| Molecular Formula | C13H21NO |
| Exact Mass | 207.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GBYCTIdXYHC |
|---|---|
| Name | 3-me-4-meo-pea pr |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.162314299 u |
| Formula | C13H21NO |
| InChI | InChI=1S/C13H21NO/c1-4-8-14-9-7-12-5-6-13(15-3)11(2)10-12/h5-6,10,14H,4,7-9H2,1-3H3 |
| InChIKey | HRRKBKNMKUGZJI-UHFFFAOYSA-N |
| Molecular Weight | 207.317 g/mol |
| SMILES | C=1(C=C(C(=CC1)OC)C)CCNCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988983 |