| SpectraBase Spectrum ID |
DWX7LZinBkY |
| Name |
(S)-3-Methyloxacyclotetradecan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.193280075 u |
| Formula |
C14H26O2 |
| InChI |
InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-16-14(13)15/h13H,2-12H2,1H3/t13-/m0/s1 |
| InChIKey |
XAWSKPSSJADZMX-ZDUSSCGKSA-N |
| Molecular Weight |
226.360 g/mol |
| SMILES |
C1(OCCCCCCCCCCC[C@@]1(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972718 |
