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1,3-Benzodioxol-5-ol,6-(7-methoxy-3,4(2H)-dihydro-1-benzopyran-3-yl)-

View entire compound with spectra: 1 NMR, and 1 FTIR

1,3-Benzodioxol-5-ol,6-(7-methoxy-3,4(2H)-dihydro-1-benzopyran-3-yl)-
SpectraBase Compound ID LcJ5CTYFcSQ
InChI InChI=1S/C17H16O5/c1-19-12-3-2-10-4-11(8-20-15(10)5-12)13-6-16-17(7-14(13)18)22-9-21-16/h2-3,5-7,11,18H,4,8-9H2,1H3
InChIKey MDMLHUSWWDRCTB-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6GseHxAwLaY
Name 1,3-Benzodioxol-5-ol,6-(7-methoxy-3,4(2H)-dihydro-1-benzopyran-3-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.099773610 u
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-19-12-3-2-10-4-11(8-20-15(10)5-12)13-6-16-17(7-14(13)18)22-9-21-16/h2-3,5-7,11,18H,4,8-9H2,1H3
InChIKey MDMLHUSWWDRCTB-UHFFFAOYSA-N
SMILES C12=C(C=C(C=C2)OC)OCC(C1)C1=C(C=C2C(=C1)OCO2)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90756