| SpectraBase Spectrum ID |
IfWjJHUdEWJ |
| Name |
Garcipyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.115423675 u |
| Formula |
C18H18O5 |
| InChI |
InChI=1S/C18H18O5/c1-18(10-19)6-5-12-7-11(3-4-15(12)23-18)13-8-14(20)17(21)16(9-13)22-2/h3-9,19-21H,10H2,1-2H3 |
| InChIKey |
PYBVCMOUSOSDMJ-UHFFFAOYSA-N |
| Molecular Weight |
314.337 g/mol |
| SMILES |
C1(O)=CC(=CC(=C1O)OC)C1=CC=C2OC(C)(CO)C=CC2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916564 |
