| SpectraBase Spectrum ID |
4anCFKweePW |
| Name |
2,7:3,6-Dimethano-2H-1-benzopyran, octahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
164.120115134 u |
| Formula |
C11H16O |
| InChI |
InChI=1S/C11H16O/c1-6-2-9-3-8(1)10-4-7(6)5-11(9)12-10/h6-11H,1-5H2/t6-,7+,8+,9-,10+,11- |
| InChIKey |
WKYLEBVWVGPHGE-MXULBQIISA-N |
| Molecular Weight |
164.248 g/mol |
| SMILES |
[C@]12([C@@]3(C[C@]4([C@@](C2)(C[C@](C1)([C@@](C4)(O3)[H])[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938067 |
