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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4B3tnayZ3w
Name Spinochrome S
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Oc1cc2C(C(=C(C(c2c(c1O)O)=O)C(=O)C)O)=O
SPLASH splash10-00r6-9230000000-5405329d979ee88831d0
Source of Spectrum CD-555-0-0
Synonyms 3-Acetyl-2,5,6,7-tetrahydroxynaphthoquinone
Wiley ID 1267530