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3-Benzoyloxyplumbagin

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Benzoyloxyplumbagin
SpectraBase Compound ID G6M8sDF4blO
InChI InChI=1S/C18H12O5/c1-10-15(20)12-8-5-9-13(19)14(12)16(21)17(10)23-18(22)11-6-3-2-4-7-11/h2-9,19H,1H3
InChIKey NIVOGUDJFHJBQA-UHFFFAOYSA-N
Mol Weight 308.29 g/mol
Molecular Formula C18H12O5
Exact Mass 308.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HEaFHCNVhuP
Name 3-Benzoyloxyplumbagin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.068473481 u
Formula C18H12O5
InChI InChI=1S/C18H12O5/c1-10-15(20)12-8-5-9-13(19)14(12)16(21)17(10)23-18(22)11-6-3-2-4-7-11/h2-9,19H,1H3
InChIKey NIVOGUDJFHJBQA-UHFFFAOYSA-N
Molecular Weight 308.289 g/mol
SMILES C1(=C(C(=O)C=2C(C1=O)=C(O)C=CC2)C)OC(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955589