| SpectraBase Compound ID | 1eGKJoTXTqq |
|---|---|
| InChI | InChI=1S/C10H9NO2/c12-7-6-11-10(13)8-9-4-2-1-3-5-9/h1-6H,8H2,(H,11,13) |
| InChIKey | QGKTZHYCEORICS-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ihH4Ib5B6P |
|---|---|
| Name | Benzylpenicilline artifact-1 P330 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c12-7-6-11-10(13)8-9-4-2-1-3-5-9/h1-6H,8H2,(H,11,13) |
| InChIKey | QGKTZHYCEORICS-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C1=CC(CC(NC=C=O)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81926 |