SpectraBase Spectrum ID |
JETB9Ung5z9 |
Name |
para-Phenylene-bis-(1,3-dioxolanium)-dication |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.089208927 u |
Formula |
C12H14O4 |
InChI |
InChI=1S/C12H14O4/c1-2-10(12-15-7-8-16-12)4-3-9(1)11-13-5-6-14-11/h1-4,11-12H,5-8H2 |
InChIKey |
KFYUAUKBIGISTN-UHFFFAOYSA-N |
Molecular Weight |
222.240 g/mol |
SMILES |
C1(OCCO1)C1=CC=C(C2OCCO2)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800076 |