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Rubiawallin C

View entire compound with spectra: 2 NMR, and 1 FTIR

Rubiawallin C
SpectraBase Compound ID GrkGXVKhh2M
InChI InChI=1S/C16H10O5/c1-21-16(20)11-7-6-10-12(15(11)19)14(18)9-5-3-2-4-8(9)13(10)17/h2-7,19H,1H3
InChIKey BJKGQODYLJQOBA-UHFFFAOYSA-N
Mol Weight 282.25 g/mol
Molecular Formula C16H10O5
Exact Mass 282.052823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Iy4RPcMYsF7
Name Rubiawallin C
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.052823417 u
Formula C16H10O5
InChI InChI=1S/C16H10O5/c1-21-16(20)11-7-6-10-12(15(11)19)14(18)9-5-3-2-4-8(9)13(10)17/h2-7,19H,1H3
InChIKey BJKGQODYLJQOBA-UHFFFAOYSA-N
Molecular Weight 282.251 g/mol
SMILES C1(=C(C=CC2=C1C(C=1C(C2=O)=CC=CC1)=O)C(=O)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93709