| SpectraBase Spectrum ID |
9QirXoaPUmD |
| Name |
1,2-Benzenediol, o-(1-adamantancarbonyl)-o'-(cyclobutanecarbonyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.183109313 u |
| Formula |
C22H26O4 |
| InChI |
InChI=1S/C22H26O4/c23-20(17-4-3-5-17)25-18-6-1-2-7-19(18)26-21(24)22-11-14-8-15(12-22)10-16(9-14)13-22/h1-2,6-7,14-17H,3-5,8-13H2/t14-,15+,16-,22- |
| InChIKey |
DCMYBGHEIUJYKW-OFWUGVANSA-N |
| Molecular Weight |
354.446 g/mol |
| SMILES |
C1CC(C1)C(OC=1C(=CC=CC1)OC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)=O |
