| SpectraBase Spectrum ID |
LOTymR1aif1 |
| Name |
3,8-Dihydroxy-1,4,6,9-tetramethyldibenzo[B,E][1,4]dioxepin-11-one, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.120902977 u |
| Formula |
C21H20O7 |
| InChI |
InChI=1S/C21H20O7/c1-9-7-15(25-13(5)22)11(3)19-17(9)21(24)28-20-12(4)16(26-14(6)23)8-10(2)18(20)27-19/h7-8H,1-6H3 |
| InChIKey |
LUCQYKNIPBZVMS-UHFFFAOYSA-N |
| Molecular Weight |
384.384 g/mol |
| SMILES |
C1=2OC(C3=C(OC2C(=CC(=C1C)OC(=O)C)C)C(=C(C=C3C)OC(=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912139 |
![3,8-Dihydroxy-1,4,6,9-tetramethyldibenzo[B,E][1,4]dioxepin-11-one, 2ac derivative](/api/spectrum/LOTymR1aif1/structure.png?h=300&w=458 "3,8-Dihydroxy-1,4,6,9-tetramethyldibenzo[B,E][1,4]dioxepin-11-one, 2ac derivative")
