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1,1-Dimethyl 2-(4-fluorophenyl)cyclopropane-1,2-dicarboxylate
SpectraBase Compound ID 5vbRYCcwED2
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
Mol Weight 252.24 g/mol
Molecular Formula C13H13FO4
Exact Mass 252.079787 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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