| SpectraBase Spectrum ID |
DssGFEiJWlM |
| Name |
(rac)-4-(1-Phenylethyl)cyclo-1-hexanone ethylene ketal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c1-13(14-5-3-2-4-6-14)15-7-9-16(10-8-15)17-11-12-18-16/h2-6,13,15H,7-12H2,1H3 |
| InChIKey |
IMZDUHSSEIWCTL-UHFFFAOYSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
C12(OCCO2)CCC(C(C2=CC=CC=C2)C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82167 |
