| SpectraBase Compound ID | 4G3V3e0UDkd |
|---|---|
| InChI | InChI=1S/C10H15NO2/c1-4-10(5-2)8(12)6-7-11(3)9(10)13/h6-7H,4-5H2,1-3H3 |
| InChIKey | PMYYZHNRRDQBLH-UHFFFAOYSA-N |
| Mol Weight | 181.23 g/mol |
| Molecular Formula | C10H15NO2 |
| Exact Mass | 181.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4MeAZhqwZ77 |
|---|---|
| Name | Pyrithyldione me |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.110278725 u |
| Formula | C10H15NO2 |
| InChI | InChI=1S/C10H15NO2/c1-4-10(5-2)8(12)6-7-11(3)9(10)13/h6-7H,4-5H2,1-3H3 |
| InChIKey | PMYYZHNRRDQBLH-UHFFFAOYSA-N |
| Molecular Weight | 181.235 g/mol |
| SMILES | C1(C(N(C=CC1=O)C)=O)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932117 |