| SpectraBase Spectrum ID |
BLLLIcbNUMq |
| Name |
2,7-Ditert-butyl-1,2,3,4,5A,6,7,8,9,10A-decahydrodibenzo-p-dioxin-4A,9A-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-17(2,3)13-7-9-19(21)15(11-13)23-20(22)10-8-14(18(4,5)6)12-16(20)24-19/h13-16,21-22H,7-12H2,1-6H3 |
| InChIKey |
JOKZNLBOBRLCKN-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C12(OC3CC(C(C)(C)C)CCC3(OC2CC(CC1)C(C)(C)C)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957396 |
