| SpectraBase Spectrum ID |
6uistJoQ9U9 |
| Name |
3'-Acetyl-5,6,7,8-tetrahydrospiro[chroman-2,1'-cyclohexan]-2'-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.156894565 u |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-11(17)13-6-4-9-16(15(13)18)10-8-12-5-2-3-7-14(12)19-16/h13H,2-10H2,1H3 |
| InChIKey |
NGIRQZJGWFIBIG-UHFFFAOYSA-N |
| Molecular Weight |
262.349 g/mol |
| SMILES |
C=12CCCCC1CCC1(O2)CCCC(C1=O)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.939202 |
![3'-Acetyl-5,6,7,8-tetrahydrospiro[chroman-2,1'-cyclohexan]-2'-one](/api/spectrum/6uistJoQ9U9/structure.png?h=300&w=458 "3'-Acetyl-5,6,7,8-tetrahydrospiro[chroman-2,1'-cyclohexan]-2'-one")
