| SpectraBase Spectrum ID |
IHISYQcwT29 |
| Name |
(Phenylmethyl) 4-methyl-6-oxidanyl-1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.063388100 u |
| Formula |
C17H12O6 |
| InChI |
InChI=1S/C17H12O6/c1-9-13-11(15(19)23-17(13)21)7-12(18)14(9)16(20)22-8-10-5-3-2-4-6-10/h2-7,18H,8H2,1H3 |
| InChIKey |
JQCPILWFGIEOGT-UHFFFAOYSA-N |
| Molecular Weight |
312.277 g/mol |
| SMILES |
C1(C=2C(=CC(=C(C2C)C(OCC=2C=CC=CC2)=O)O)C(O1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826614 |
