| SpectraBase Spectrum ID |
2yVo8W96Nq2 |
| Name |
5-Benzylidene-2-tert-butyl-6-trichloromethyl-[1,3]dioxan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.024327504 u |
| Formula |
C16H17Cl3O3 |
| InChI |
InChI=1S/C16H17Cl3O3/c1-15(2,3)14-21-12(16(17,18)19)11(13(20)22-14)9-10-7-5-4-6-8-10/h4-9,12,14H,1-3H3/b11-9+ |
| InChIKey |
KIOZIICTZKSOAA-PKNBQFBNSA-N |
| Molecular Weight |
363.668 g/mol |
| SMILES |
c1(\C=C/2C(OC(OC2=O)C(C)(C)C)C(Cl)(Cl)Cl)ccccc1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936472 |
![5-Benzylidene-2-tert-butyl-6-trichloromethyl-[1,3]dioxan-4-one](/api/spectrum/2yVo8W96Nq2/structure.png?h=300&w=458 "5-Benzylidene-2-tert-butyl-6-trichloromethyl-[1,3]dioxan-4-one")
