| SpectraBase Spectrum ID |
Kv2zAoBGVUt |
| Name |
2,4,6-Triphenethyl-1,3,5-trioxane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.219494823 u |
| Formula |
C27H30O3 |
| InChI |
InChI=1S/C27H30O3/c1-4-10-22(11-5-1)16-19-25-28-26(20-17-23-12-6-2-7-13-23)30-27(29-25)21-18-24-14-8-3-9-15-24/h1-15,25-27H,16-21H2 |
| InChIKey |
OQGSEGOIMCRZTC-UHFFFAOYSA-N |
| Molecular Weight |
402.534 g/mol |
| SMILES |
C1(OC(OC(O1)CCC1=CC=CC=C1)CCC1=CC=CC=C1)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937137 |
