SpectraBase Spectrum ID |
IqqcBDmz8Bq |
Name |
1,3-Benzenediol, o,o'-di(cyclopropanecarbonyl)- |
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(9-4-5-9)17-11-2-1-3-12(8-11)18-14(16)10-6-7-10/h1-3,8-10H,4-7H2 |
InChIKey |
GREXQTAPSSIGIP-UHFFFAOYSA-N |
Molecular Weight |
246.262 g/mol |
SMILES |
C1=C(C=C(C=C1)OC(=O)C1CC1)OC(=O)C1CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848808 |