SpectraBase Spectrum ID |
FBmBXcackeY |
Name |
1-Oxaspiro[4.5]decan-2-one, 7-(1,1-dimethylethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
210.161979946 u |
Formula |
C13H22O2 |
InChI |
InChI=1S/C13H22O2/c1-12(2,3)10-5-4-7-13(9-10)8-6-11(14)15-13/h10H,4-9H2,1-3H3 |
InChIKey |
BTAONXXLVUFTIH-UHFFFAOYSA-N |
Molecular Weight |
210.317 g/mol |
SMILES |
C12(OC(CC2)=O)CC(C(C)(C)C)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827241 |