| SpectraBase Spectrum ID |
AHzlU22XLGq |
| Name |
2-(4-Tert-butylphenyl)-1,3-dioxolane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12/h4-7,12H,8-9H2,1-3H3 |
| InChIKey |
TYEAGXDMFMITCS-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
C1(C=2C=CC(C(C)(C)C)=CC2)OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948679 |
