| SpectraBase Spectrum ID |
K2PcOZ4WQvs |
| Name |
2-[3',5'-di(T-Butyl)-4'-hydroxyphenyl]-5-hydroxy-3-methoxy-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.193673997 u |
| Formula |
C25H28O5 |
| InChI |
InChI=1S/C25H28O5/c1-24(2,3)15-11-13(12-16(21(15)28)25(4,5)6)18-20(27)14-9-8-10-17(26)19(14)22(29)23(18)30-7/h8-12,26,28H,1-7H3 |
| InChIKey |
YZCYZVAHXZJNFO-UHFFFAOYSA-N |
| Molecular Weight |
408.494 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2O)OC)C=1C=C(C(C)(C)C)C(=C(C1)C(C)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929199 |
![2-[3',5'-di(t-Butyl)-4'-hydroxyphenyl]-5-hydroxy-3-methoxy-1,4-naphthoquinone](/api/spectrum/K2PcOZ4WQvs/structure.png?h=300&w=458 "2-[3',5'-di(t-Butyl)-4'-hydroxyphenyl]-5-hydroxy-3-methoxy-1,4-naphthoquinone")
