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Deoxyviolacein

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Deoxyviolacein
SpectraBase Compound ID 4xQ4ZbE79us
InChI InChI=1S/C20H13N3O2/c24-19-13(18-12-6-2-4-8-16(12)22-20(18)25)9-17(23-19)14-10-21-15-7-3-1-5-11(14)15/h1-10,21H,(H,22,25)(H,23,24)/b18-13+
InChIKey OJUJNNKCVPCATE-QGOAFFKASA-N
Mol Weight 327.34 g/mol
Molecular Formula C20H13N3O2
Exact Mass 327.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ALpkCfandF
Name Deoxyviolacein
Alternate Name(s) (3E)-3-[5-(1H-indol-3-yl)-2-keto-2-pyrrolin-3-ylidene]oxindole (3E)-3-[5-(1H-indol-3-yl)-2-oxidanylidene-1H-pyrrol-3-ylidene]-1H-indol-2-one (3E)-3-[5-(1H-indol-3-yl)-2-oxo-1H-pyrrol-3-ylidene]-1H-indol-2-one (3E)-3-[5-(1H-indol-3-yl)-2-oxo-1H-pyrrol-3-ylidene]indolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13N3O2
InChI InChI=1S/C20H13N3O2/c24-19-13(18-12-6-2-4-8-16(12)22-20(18)25)9-17(23-19)14-10-21-15-7-3-1-5-11(14)15/h1-10,21H,(H,22,25)(H,23,24)/b18-13+
InChIKey OJUJNNKCVPCATE-QGOAFFKASA-N
Molecular Weight 327.343 g/mol
SMILES N1c2c(\C(=C\3C=C(c4c[nH]c5c4cccc5)NC3=O)C1=O)cccc2
SPLASH splash10-004i-0019000000-7c7003f0bf8e402999a9
Source of Spectrum KC-1984-1336-0
Wiley ID 1325661