| SpectraBase Compound ID | 7GJAfKZRVn5 |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-6-3-9(13)8(5-11)10(4-6)14-7(2)12/h3-5,13H,1-2H3 |
| InChIKey | BMVAZWWCZMVDSN-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C10H10O4 |
| Exact Mass | 194.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9bP0SwNm9r8 |
|---|---|
| Name | p-Orsellinaldehyde, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.057908798 u |
| Formula | C10H10O4 |
| InChI | InChI=1S/C10H10O4/c1-6-3-9(13)8(5-11)10(4-6)14-7(2)12/h3-5,13H,1-2H3 |
| InChIKey | BMVAZWWCZMVDSN-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | C(C1=C(C=C(C=C1O)C)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959061 |