| SpectraBase Spectrum ID |
EwWLP6IgagO |
| Name |
2-Butynoic acid, 4-(2-methoxyphenyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.078644243 u |
| Formula |
C12H12O3 |
| InChI |
InChI=1S/C12H12O3/c1-14-11-8-4-3-6-10(11)7-5-9-12(13)15-2/h3-4,6,8H,7H2,1-2H3 |
| InChIKey |
JMRFUXXCWPBYJC-UHFFFAOYSA-N |
| Molecular Weight |
204.225 g/mol |
| SMILES |
C(#CCC=1C(OC)=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848226 |
