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(3-Isopropyl-7-methoxy-4-oxo-chroman-3-yl)methyl acetate
SpectraBase Compound ID 57ij3l4QZNg
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
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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