| SpectraBase Compound ID | 7GDtBMnqlJR |
|---|---|
| InChI | InChI=1S/C10H10O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-5,7H,6H2,1H3 |
| InChIKey | NCDSEQNSIBPEKG-UHFFFAOYSA-N |
| Mol Weight | 162.19 g/mol |
| Molecular Formula | C10H10O2 |
| Exact Mass | 162.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1y4IT9KF2qa |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 2,3-dihydro-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.068079560 u |
| Formula | C10H10O2 |
| InChI | InChI=1S/C10H10O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-5,7H,6H2,1H3 |
| InChIKey | NCDSEQNSIBPEKG-UHFFFAOYSA-N |
| Molecular Weight | 162.188 g/mol |
| SMILES | C1(=O)C2=C(OC(C1)C)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968549 |