SpectraBase Spectrum ID |
AbJrL4ofJir |
Name |
(3-Isopropyl-7-methoxy-4-oxo-chroman-3-yl)methyl acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
292.131073739 u |
Formula |
C16H20O5 |
InChI |
InChI=1S/C16H20O5/c1-10(2)16(8-20-11(3)17)9-21-14-7-12(19-4)5-6-13(14)15(16)18/h5-7,10H,8-9H2,1-4H3 |
InChIKey |
BBPCHCVXKVDSGW-UHFFFAOYSA-N |
SMILES |
C1C(C(C=2C=CC(=CC2O1)OC)=O)(C(C)C)COC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960311 |