| SpectraBase Spectrum ID |
EfCi2U5xQ5y |
| Name |
4-Hydroxy-1,3-dimethoxy-2-(2',4'-dimethoxyphenyl)dihydrobenzocyclobutene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.131073739 u |
| Formula |
C18H20O5 |
| InChI |
InChI=1S/C18H20O5/c1-20-10-5-6-11(14(9-10)21-2)15-16-12(17(15)22-3)7-8-13(19)18(16)23-4/h5-9,15,17,19H,1-4H3/t15-,17+/m1/s1 |
| InChIKey |
POEMSOLENFXUMH-WBVHZDCISA-N |
| Molecular Weight |
316.353 g/mol |
| SMILES |
C=12C([C@@](OC)([H])[C@@]2(C=2C(=CC(OC)=CC2)OC)[H])=CC=C(C1OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879516 |
