SpectraBase Spectrum ID |
A8l5S99Gl5j |
Name |
1H-Naphtho[2,3-C]pyran-5,10-dione, 3,4-dihydro-9-hydroxy-7-methoxy-1,3-dimethyl-, trans-(.+-.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.099773610 u |
Formula |
C16H16O5 |
InChI |
InChI=1S/C16H16O5/c1-7-4-10-13(8(2)21-7)16(19)14-11(15(10)18)5-9(20-3)6-12(14)17/h5-8,17H,4H2,1-3H3/t7-,8-/m0/s1 |
InChIKey |
RNGGDQGPILKTQU-YUMQZZPRSA-N |
SMILES |
C12=C(C(=O)C3=C(C2=O)C(=CC(OC)=C3)O)C[C@@](O[C@]1(C)[H])(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915084 |