| SpectraBase Spectrum ID |
IOarOUSBkWf |
| Name |
4,4'-(Ethyne-1,2-diyl)diphthalic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.016437907 u |
| Formula |
C18H6O6 |
| InChI |
InChI=1S/C18H6O6/c19-15-11-5-3-9(7-13(11)17(21)23-15)1-2-10-4-6-12-14(8-10)18(22)24-16(12)20/h3-8H |
| InChIKey |
XGZRRDYHYZLYIJ-UHFFFAOYSA-N |
| Molecular Weight |
318.240 g/mol |
| SMILES |
C=1C(=CC=C2C(OC(C12)=O)=O)C#CC1=CC=C2C(OC(C2=C1)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.908685 |
