| SpectraBase Spectrum ID |
42idzFBDcf5 |
| Name |
2,2-Dimethyl-5-(3'-phenyl-2',3'-dihydro-1'H-inden-1'-ylidene)-1,3-dioxan-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.120509056 u |
| Formula |
C21H18O4 |
| InChI |
InChI=1S/C21H18O4/c1-21(2)24-19(22)18(20(23)25-21)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11,16H,12H2,1-2H3 |
| InChIKey |
XVEWMARHNVYCTF-UHFFFAOYSA-N |
| Molecular Weight |
334.371 g/mol |
| SMILES |
C1(=O)OC(C)(C)OC(=O)C1=C1CC(C2=CC=CC=C2)C2=CC=CC=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979017 |
