| SpectraBase Spectrum ID |
HayCvNZqSwy |
| Name |
cis-Acetic acid (4-methyl-5-oxo-4-propionyltetrahydrofuran-3-yl)phenylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.131073739 u |
| Formula |
C17H20O5 |
| InChI |
InChI=1S/C17H20O5/c1-4-14(19)17(3)13(10-21-16(17)20)15(22-11(2)18)12-8-6-5-7-9-12/h5-9,13,15H,4,10H2,1-3H3/t13-,15+,17-/m1/s1 |
| InChIKey |
YEULJWYDYVFLNE-UKPHBRMFSA-N |
| Molecular Weight |
304.342 g/mol |
| SMILES |
[C@]1([C@@]([C@@](OC(=O)C)(C=2C=CC=CC2)[H])(COC1=O)[H])(C(=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884931 |
