| SpectraBase Compound ID | 5mllmH5HVt |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-20-14-5-3-4-11-12(9-18)16(22-17(11)14)10-6-7-13(19)15(8-10)21-2/h3-8,12,16,18-19H,9H2,1-2H3/t12-,16+/m1/s1 InChI=1S/C17H18O5/c1-20-14-5-3-4-11-12(9-18)16(22-17(11)14)10-6-7-13(19)15(8-10)21-2/h3-8,12,16,18-19H,9H2,1-2H3/t12-,16+/m0/s1 |
| InChIKey | ZVUDTLFHMSPCIE-WBMJQRKESA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C17H18O5 |
| Exact Mass | 302.115424 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HjqDUJH2XS0 |
|---|---|
| Name | Trans-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-benzofuranmethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.115423675 u |
| Formula | C17H18O5 |
| InChI | InChI=1S/C17H18O5/c1-20-14-5-3-4-11-12(9-18)16(22-17(11)14)10-6-7-13(19)15(8-10)21-2/h3-8,12,16,18-19H,9H2,1-2H3/t12-,16+/m1/s1 |
| InChIKey | ZVUDTLFHMSPCIE-WBMJQRKESA-N |
| Molecular Weight | 302.326 g/mol |
| SMILES | OC[C@@]1(C=2C=CC=C(C2O[C@]1(C=1C=C(C(=CC1)O)OC)[H])OC)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.97378 |