SpectraBase Spectrum ID |
5TZ1N3c7ARO |
Name |
Cycloheptanone, 3-(3,3-dimethylbutyl)-5-methyl- |
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/c1-11-5-6-13(15)10-12(9-11)7-8-14(2,3)4/h11-12H,5-10H2,1-4H3 |
InChIKey |
ZIRYIDSEKRVWEF-UHFFFAOYSA-N |
Molecular Weight |
210.361 g/mol |
SMILES |
C(CC(C)(C)C)C1CC(C)CCC(C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927277 |