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1,4-Naphthoquinone, 2-acetyl-5,8-dihydroxy-3,6,7-trimethoxy-
SpectraBase Compound ID CtioVbAyGdp
InChI InChI=1S/C15H14O8/c1-5(16)6-9(17)7-8(10(18)13(6)21-2)12(20)15(23-4)14(22-3)11(7)19/h17-18H,1-4H3
InChIKey PZBCZYCYMKYYSB-UHFFFAOYSA-N
Mol Weight 322.27 g/mol
Molecular Formula C15H14O8
Exact Mass 322.068867 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BlHB17OFzoc
Name 1,4-Naphthoquinone, 2-acetyl-5,8-dihydroxy-3,6,7-trimethoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.068867403 u
Formula C15H14O8
InChI InChI=1S/C15H14O8/c1-5(16)6-9(17)7-8(10(18)13(6)21-2)12(20)15(23-4)14(22-3)11(7)19/h17-18H,1-4H3
InChIKey PZBCZYCYMKYYSB-UHFFFAOYSA-N
Molecular Weight 322.269 g/mol
SMILES C1(O)=C2C(=C(C(=C1C(C)=O)OC)O)C(=O)C(=C(C2=O)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970527