| SpectraBase Spectrum ID |
1QXcEduF9em |
| Name |
4-{2',2'-Dimethyl-1'-((ethoxycarbonyl)-1'-ethenyl}-3,3-dimethylbenzopyran-2H-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.104858991 u |
| Formula |
C16H16O4 |
| InChI |
InChI=1S/C16H16O4/c1-4-19-16(18)14(10(2)3)12-9-11-7-5-6-8-13(11)20-15(12)17/h5-9H,4H2,1-3H3 |
| InChIKey |
ZBWNJRQZFKFHLW-UHFFFAOYSA-N |
| Molecular Weight |
272.300 g/mol |
| SMILES |
C=1(C(OC=2C(C1)=CC=CC2)=O)C(C(=O)OCC)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960004 |
