| SpectraBase Spectrum ID |
DX8gajfrbkj |
| Name |
1,3-Benzenediol, o-(1-adamantanecarbonyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.141244501 u |
| Formula |
C17H20O3 |
| InChI |
InChI=1S/C17H20O3/c18-14-2-1-3-15(7-14)20-16(19)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,18H,4-6,8-10H2/t11-,12+,13-,17- |
| InChIKey |
VWUYJABONUTFSX-FBBPANFNSA-N |
| SMILES |
C1(=CC(=CC=C1)OC(C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847124 |
