| SpectraBase Compound ID | EpzxnMquP1h |
|---|---|
| InChI | InChI=1S/C12H17NO2/c1-9-8-11(4-5-12(9)15-3)6-7-13-10(2)14/h4-5,8H,6-7H2,1-3H3,(H,13,14) |
| InChIKey | ISYHXTTWLGBQBN-UHFFFAOYSA-N |
| Mol Weight | 207.27 g/mol |
| Molecular Formula | C12H17NO2 |
| Exact Mass | 207.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Jo7SKuwR3n |
|---|---|
| Name | 3-me-4-meo-pea ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.125928789 u |
| Formula | C12H17NO2 |
| InChI | InChI=1S/C12H17NO2/c1-9-8-11(4-5-12(9)15-3)6-7-13-10(2)14/h4-5,8H,6-7H2,1-3H3,(H,13,14) |
| InChIKey | ISYHXTTWLGBQBN-UHFFFAOYSA-N |
| Molecular Weight | 207.273 g/mol |
| SMILES | C=1(C(=CC(=CC1)CCNC(=O)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978172 |