| SpectraBase Spectrum ID |
AsawbN7JUnN |
| Name |
2,4-bis(1,1-Dimethylpropyl)cyclobutanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.198365456 u |
| Formula |
C14H26O |
| InChI |
InChI=1S/C14H26O/c1-7-13(3,4)10-9-11(12(10)15)14(5,6)8-2/h10-11H,7-9H2,1-6H3 |
| InChIKey |
BDUDNPPMLMDEOO-UHFFFAOYSA-N |
| Molecular Weight |
210.361 g/mol |
| SMILES |
C1(C(C(CC)(C)C)CC1C(CC)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978427 |
