| SpectraBase Spectrum ID |
908yPsw6XTT |
| Name |
2,7-di-Tert-butyl-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.161979946 u |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-17(2,3)11-7-8-12-13(9-11)16(20)14(10-15(12)19)18(4,5)6/h7-10H,1-6H3 |
| InChIKey |
SCNIHHSZHHPWDN-UHFFFAOYSA-N |
| Molecular Weight |
270.372 g/mol |
| SMILES |
CC(C1=CC2=C(C=C1)C(=O)C=C(C2=O)C(C)(C)C)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.972802 |
