| SpectraBase Spectrum ID |
488dJb45lCt |
| Name |
(S)-4-(4-Tert-butylbenzyl)-5-exo-methylene-2,2-dimethyl-1,3-dioxane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.193280075 u |
| Formula |
C18H26O2 |
| InChI |
InChI=1S/C18H26O2/c1-13-12-19-18(5,6)20-16(13)11-14-7-9-15(10-8-14)17(2,3)4/h7-10,16H,1,11-12H2,2-6H3/t16-/m0/s1 |
| InChIKey |
DZSPZAWGZKMINJ-INIZCTEOSA-N |
| Molecular Weight |
274.404 g/mol |
| SMILES |
[C@@]1(OC(OCC1=C)(C)C)(CC=1C=CC(C(C)(C)C)=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979318 |
