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Rhein meac P1155

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

Rhein meac P1155
SpectraBase Compound ID HytUUpWLZWE
InChI InChI=1S/C18H12O7/c1-8(19)25-13-7-9(18(23)24-2)6-11-15(13)17(22)14-10(16(11)21)4-3-5-12(14)20/h3-7,20H,1-2H3
InChIKey RFUGFCYYWHTJHX-UHFFFAOYSA-N
Mol Weight 340.29 g/mol
Molecular Formula C18H12O7
Exact Mass 340.058303 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9BemaxOhXAe
Name Rhein meac P1155
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.058302719 u
Formula C18H12O7
InChI InChI=1S/C18H12O7/c1-8(19)25-13-7-9(18(23)24-2)6-11-15(13)17(22)14-10(16(11)21)4-3-5-12(14)20/h3-7,20H,1-2H3
InChIKey RFUGFCYYWHTJHX-UHFFFAOYSA-N
Molecular Weight 340.287 g/mol
SMILES C1=CC=C2C(C3=C(C(=CC(=C3)C(=O)OC)OC(C)=O)C(C2=C1O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967905