SpectraBase Spectrum ID |
AfdhcEgtWln |
Name |
1,1-Dimethyl 2-(4-fluorophenyl)cyclopropane-1,2-dicarboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.079787058 u |
Formula |
C13H13FO4 |
InChI |
InChI=1S/C13H13FO4/c1-17-11(15)13(12(16)18-2)7-10(13)8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3 |
InChIKey |
DMGSRWOHDZIWLP-UHFFFAOYSA-N |
Molecular Weight |
252.241 g/mol |
SMILES |
C1(CC1C1=CC=C(C=C1)F)(C(OC)=O)C(OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967389 |