| SpectraBase Spectrum ID |
CN2OQeW4JVR |
| Name |
3-Pentenoic acid, 2,4-dimethyl-, (4-methoxyphenyl)methyl ester, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.141244501 u |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-11(2)9-12(3)15(16)18-10-13-5-7-14(17-4)8-6-13/h5-9,12H,10H2,1-4H3/t12-/m0/s1 |
| InChIKey |
SGCNGGAHNIAMFC-LBPRGKRZSA-N |
| Molecular Weight |
248.322 g/mol |
| SMILES |
C([C@](C=C(C)C)(C)[H])(OCC=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972943 |
