| SpectraBase Compound ID | 5QpBrrwZire |
|---|---|
| InChI | InChI=1S/C12H15N/c1-10-8-9-12(13(10)2)11-6-4-3-5-7-11/h3-10,12H,1-2H3 |
| InChIKey | XGPMRZNYRUKXBK-UHFFFAOYSA-N |
| Mol Weight | 173.26 g/mol |
| Molecular Formula | C12H15N |
| Exact Mass | 173.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7nGYJPbsjts |
|---|---|
| Name | 1H-Pyrrole, 2,3-dihydro-1,2-dimethyl-5-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.120449487 u |
| Formula | C12H15N |
| InChI | InChI=1S/C12H15N/c1-10-8-9-12(13(10)2)11-6-4-3-5-7-11/h3-10,12H,1-2H3 |
| InChIKey | XGPMRZNYRUKXBK-UHFFFAOYSA-N |
| Molecular Weight | 173.259 g/mol |
| SMILES | C1(N(C(C=C1)C)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924059 |