| SpectraBase Spectrum ID |
3NNUJjNg70I |
| Name |
4-Methoxycarbonyl-2-oxatetracyclo[6.3.1.0(1,5).0(9,12)]dodeca-4,6,10TRIEN-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.057908798 u |
| Formula |
C13H10O4 |
| InChI |
InChI=1S/C13H10O4/c1-16-11(14)9-8-3-2-6-7-4-5-13(8,10(6)7)17-12(9)15/h2-7,10H,1H3 |
| InChIKey |
HGNPRNVTFLWXTG-UHFFFAOYSA-N |
| Molecular Weight |
230.219 g/mol |
| SMILES |
C123C4C(C=C3)C4C=CC2=C(C(=O)OC)C(O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975406 |
![4-Methoxycarbonyl-2-oxatetracyclo[6.3.1.0(1,5).0(9,12)]dodeca-4,6,10trien-3-one](/api/spectrum/3NNUJjNg70I/structure.png?h=300&w=458 "4-Methoxycarbonyl-2-oxatetracyclo[6.3.1.0(1,5).0(9,12)]dodeca-4,6,10trien-3-one")
