SpectraBase Spectrum ID |
HtdU4ozDy3u |
Name |
1,1-Dimethyl 2-(2-methylphenyl)cyclopropane-1,2-dicarboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.104858991 u |
Formula |
C14H16O4 |
InChI |
InChI=1S/C14H16O4/c1-9-6-4-5-7-10(9)11-8-14(11,12(15)17-2)13(16)18-3/h4-7,11H,8H2,1-3H3 |
InChIKey |
NRGASYLHNAKKLO-UHFFFAOYSA-N |
Molecular Weight |
248.278 g/mol |
SMILES |
C1=C(C(=CC=C1)C)C1C(C(OC)=O)(C(OC)=O)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966019 |