SpectraBase Spectrum ID |
GOZflo755gp |
Name |
3-(2-Keto-2-methoxy-ethyl)-2,3-dihydrobenzofuran-2-carboxylic acid methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.084123546 u |
Formula |
C13H14O5 |
InChI |
InChI=1S/C13H14O5/c1-16-11(14)7-9-8-5-3-4-6-10(8)18-12(9)13(15)17-2/h3-6,9,12H,7H2,1-2H3 |
InChIKey |
ROLNCUQOCKBSFI-UHFFFAOYSA-N |
Molecular Weight |
250.250 g/mol |
SMILES |
C=12OC(C(C1C=CC=C2)CC(=O)OC)C(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97808 |