SpectraBase Spectrum ID |
D1qsbeqS3oZ |
Name |
Methyl 2-(2-methylphenyl)cyclopropane-1-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
190.099379689 u |
Formula |
C12H14O2 |
InChI |
InChI=1S/C12H14O2/c1-8-5-3-4-6-9(8)10-7-11(10)12(13)14-2/h3-6,10-11H,7H2,1-2H3 |
InChIKey |
OSULHMMCMCKFRL-UHFFFAOYSA-N |
Molecular Weight |
190.242 g/mol |
SMILES |
C1=C(C(=CC=C1)C)C1CC1C(OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864243 |