SpectraBase Spectrum ID |
LJO9J44FSEN |
Name |
1H-Naphtho[2,3-C]pyran-5,10-dione, 3,4-dihydro-9-methoxy-1,3-dimethyl-7-(1-methylethoxy)-, trans-(.+-.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
330.146723803 u |
Formula |
C19H22O5 |
InChI |
InChI=1S/C19H22O5/c1-9(2)23-12-7-14-17(15(8-12)22-5)19(21)16-11(4)24-10(3)6-13(16)18(14)20/h7-11H,6H2,1-5H3/t10-,11-/m0/s1 |
InChIKey |
DFBFZQLOZORVCS-QWRGUYRKSA-N |
Molecular Weight |
330.380 g/mol |
SMILES |
C12=C(C(=O)C3=C(C2=O)C(=CC(OC(C)C)=C3)OC)C[C@@](O[C@]1(C)[H])(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907751 |