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Indigotin
SpectraBase Compound ID Jk5Wdjqd7bp
InChI InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
InChIKey COHYTHOBJLSHDF-BUHFOSPRSA-N
Mol Weight 262.27 g/mol
Molecular Formula C16H10N2O2
Exact Mass 262.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEvlrjhb4wy
Name Indigotin
CAS Registry Number 482-89-3
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 262.074227568 u
Formula C16H10N2O2
InChI InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
InChIKey COHYTHOBJLSHDF-BUHFOSPRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 262.268 g/mol
Nominal Mass 262 u
Quality 917
Retention Index 2246
SMILES C=12N\C(=C\3NC=4C(C3=O)=CC=CC4)C(C2=CC=CC1)=O
SPLASH splash10-03di-4890000000-168cd8fe8942925c65f5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Cystoceva Indigo Blue (2E)-2-(3-Oxo-1H-indol-2-ylidene)-1H-indol-3-one
Technique GC/MS
Wiley ID DD2024_001719