SpectraBase Spectrum ID |
3vYaKaDsJGY |
Name |
1,2-Benzenediol, o,o'-dicyclopropanecarbonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.089208927 u |
Formula |
C14H14O4 |
InChI |
InChI=1S/C14H14O4/c15-13(9-5-6-9)17-11-3-1-2-4-12(11)18-14(16)10-7-8-10/h1-4,9-10H,5-8H2 |
InChIKey |
FLCHDKBTJXOLOK-UHFFFAOYSA-N |
Molecular Weight |
246.262 g/mol |
SMILES |
C1(=CC=CC=C1OC(=O)C1CC1)OC(C1CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928713 |