| SpectraBase Spectrum ID |
23xIa8Vp5np |
| Name |
3',3'-Dimethyl-3'H-spiro[cyclohexane-1,1'-isobenzofuran] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.151415263 u |
| Formula |
C15H20O |
| InChI |
InChI=1S/C15H20O/c1-14(2)12-8-4-5-9-13(12)15(16-14)10-6-3-7-11-15/h4-5,8-9H,3,6-7,10-11H2,1-2H3 |
| InChIKey |
CJPQSDRYFFGBJX-UHFFFAOYSA-N |
| Molecular Weight |
216.324 g/mol |
| SMILES |
C12(OC(C=3C=CC=CC23)(C)C)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848751 |
![3',3'-Dimethyl-3'H-spiro[cyclohexane-1,1'-isobenzofuran]](/api/spectrum/23xIa8Vp5np/structure.png?h=300&w=458 "3',3'-Dimethyl-3'H-spiro[cyclohexane-1,1'-isobenzofuran]")
