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Spinochrome S

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

Spinochrome S
SpectraBase Compound ID EiDIQJOiyOO
InChI InChI=1S/C12H8O7/c1-3(13)6-10(17)7-4(8(15)11(6)18)2-5(14)9(16)12(7)19/h2,14,16,18-19H,1H3
InChIKey CALSVUIXDYZNIA-UHFFFAOYSA-N
Mol Weight 264.19 g/mol
Molecular Formula C12H8O7
Exact Mass 264.027003 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1E9BtkTEBwE
Name Spinochrome S
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.027002591 u
Formula C12H8O7
InChI InChI=1S/C12H8O7/c1-3(13)6-10(17)7-4(8(15)11(6)18)2-5(14)9(16)12(7)19/h2,14,16,18-19H,1H3
InChIKey CALSVUIXDYZNIA-UHFFFAOYSA-N
Molecular Weight 264.189 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C(=C(C(O)=C2)O)O)O)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986986