| SpectraBase Spectrum ID |
9DsMn9HSkr6 |
| Name |
3-(2'-(R)-(Benzoyloxy)propyl)-6,8-dimethoxy-1,2-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.125988358 u |
| Formula |
C22H20O6 |
| InChI |
InChI=1S/C22H20O6/c1-13(28-22(25)14-7-5-4-6-8-14)9-16-10-15-11-17(26-2)12-18(27-3)19(15)21(24)20(16)23/h4-8,10-13H,9H2,1-3H3/t13-/m1/s1 |
| InChIKey |
NCJFXWSYZJUCSO-CYBMUJFWSA-N |
| Molecular Weight |
380.396 g/mol |
| SMILES |
C1(C2=C(C=C(C=C2OC)OC)C=C(C1=O)C[C@](OC(=O)C1=CC=CC=C1)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820437 |
