| SpectraBase Spectrum ID |
7Me7Vu9oGd1 |
| Name |
Trans-1,5-dihydroxy-2,6-dimethoxy-1-(2'-methoxyphenyl)dihydrobenzocyclobutene |
| 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/c1-20-13-7-5-4-6-11(13)17(19)14-10(16(17)22-3)8-9-12(18)15(14)21-2/h4-9,16,18-19H,1-3H3/t16-,17-/m1/s1 |
| InChIKey |
MEDPCPNEDVAISA-IAGOWNOFSA-N |
| SMILES |
[C@]1(C=2C(=C(O)C=CC2[C@]1(OC)[H])OC)(C=1C(OC)=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834547 |
