| SpectraBase Spectrum ID |
CyocBuBfV71 |
| Name |
(2R)-2-(3-Methoxyphenyl)-2-methyl-5-oxopentanoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-14(8-5-9-15,13(16)18-3)11-6-4-7-12(10-11)17-2/h4,6-7,9-10H,5,8H2,1-3H3/t14-/m1/s1 |
| InChIKey |
MTBOTSXTSWACCG-CQSZACIVSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
[C@@](C(=O)OC)(C=1C=C(OC)C=CC1)(CCC=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858975 |
