| SpectraBase Spectrum ID |
KJyFfdvBXih |
| Name |
1-(2-Methoxy-5-methyl-phenyl)cyclopent-3-ene-1-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.125594437 u |
| Formula |
C15H18O3 |
| InChI |
InChI=1S/C15H18O3/c1-11-6-7-13(17-2)12(10-11)15(14(16)18-3)8-4-5-9-15/h4-7,10H,8-9H2,1-3H3 |
| InChIKey |
DOJYRZDIPGSAMC-UHFFFAOYSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
C1(CC=CC1)(C(=O)OC)C=1C(=CC=C(C1)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829143 |
