| SpectraBase Spectrum ID |
m3oBh3Qz0M |
| Name |
(S)-Methyl 2,3,3-trimethoxy-2-phenylpropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.115423675 u |
| Formula |
C13H18O5 |
| InChI |
InChI=1S/C13H18O5/c1-15-11(14)13(18-4,12(16-2)17-3)10-8-6-5-7-9-10/h5-9,12H,1-4H3/t13-/m1/s1 |
| InChIKey |
LIUSTPCUKYPLGS-CYBMUJFWSA-N |
| Molecular Weight |
254.282 g/mol |
| SMILES |
C1=CC=C(C=C1)[C@@](OC)(C(=O)OC)C(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922191 |
