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1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-9-hydroxy-7-methoxy-1,3-dimethyl-, trans-(.+-.)-
SpectraBase Compound ID 5sNsxhQFcto
InChI InChI=1S/C16H16O5/c1-7-4-10-13(8(2)21-7)16(19)14-11(15(10)18)5-9(20-3)6-12(14)17/h5-8,17H,4H2,1-3H3/t7-,8-/m0/s1
InChIKey RNGGDQGPILKTQU-YUMQZZPRSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A8l5S99Gl5j
Name 1H-Naphtho[2,3-C]pyran-5,10-dione, 3,4-dihydro-9-hydroxy-7-methoxy-1,3-dimethyl-, trans-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.099773610 u
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-7-4-10-13(8(2)21-7)16(19)14-11(15(10)18)5-9(20-3)6-12(14)17/h5-8,17H,4H2,1-3H3/t7-,8-/m0/s1
InChIKey RNGGDQGPILKTQU-YUMQZZPRSA-N
SMILES C12=C(C(=O)C3=C(C2=O)C(=CC(OC)=C3)O)C[C@@](O[C@]1(C)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915084