| SpectraBase Spectrum ID |
4DvyBQFVtew |
| Name |
1-Acetyl-6,7-dimethoxy-4-oxo-1,2,3,4-tetrahydro-1-naphthaleneacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.110338294 u |
| Formula |
C16H18O6 |
| InChI |
InChI=1S/C16H18O6/c1-9(17)16(8-15(19)20)5-4-12(18)10-6-13(21-2)14(22-3)7-11(10)16/h6-7H,4-5,8H2,1-3H3,(H,19,20) |
| InChIKey |
FVIIVLLYBCNFRB-UHFFFAOYSA-N |
| SMILES |
OC(CC1(CCC(C=2C=C(C(=CC12)OC)OC)=O)C(C)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.990079 |
