| SpectraBase Spectrum ID |
DuULQr2K7FR |
| Name |
(-)-dihydrocubebin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.141638422 u |
| Formula |
C20H22O6 |
| InChI |
InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1 |
| InChIKey |
JKCVMTYNARDGET-HOTGVXAUSA-N |
| Molecular Weight |
358.390 g/mol |
| SMILES |
C1=2OCOC2C=C(C[C@@](CO)([C@](CO)(CC2=CC3=C(C=C2)OCO3)[H])[H])C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967962 |
