| SpectraBase Compound ID | KQPwRXvJFsB |
|---|---|
| InChI | InChI=1S/C17H16O5/c1-20-13-8-9-7-12(19)16(21-2)17(22-3)14(9)15-10(13)5-4-6-11(15)18/h4-8,18-19H,1-3H3 |
| InChIKey | MRYYPHKLLLULDL-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C17H16O5 |
| Exact Mass | 300.099774 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Ald2xfImxC |
|---|---|
| Name | Fimbriol-A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.099773610 u |
| Formula | C17H16O5 |
| InChI | InChI=1S/C17H16O5/c1-20-13-8-9-7-12(19)16(21-2)17(22-3)14(9)15-10(13)5-4-6-11(15)18/h4-8,18-19H,1-3H3 |
| InChIKey | MRYYPHKLLLULDL-UHFFFAOYSA-N |
| SMILES | C1=2C(=C(OC)C(=CC2C=C(OC)C2=C1C(O)=CC=C2)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.800546 |