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Isatin
SpectraBase Compound ID JcZvio7n18S
InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKey JXDYKVIHCLTXOP-UHFFFAOYSA-N
Mol Weight 147.13 g/mol
Molecular Formula C8H5NO2
Exact Mass 147.032028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dkd0Gurg9K4
Name Isatin
Classification Isatin hydrazone cannabinoid precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 147.032028403 u
Formula C8H5NO2
InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKey JXDYKVIHCLTXOP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 147.133 g/mol
Nominal Mass 147 u
Quality 978
Retention Index 1860
SMILES C=12C(C(C(N2)=O)=O)=CC=CC1
SPLASH splash10-0296-9400000000-d749c6c186e3773dd169
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1H-indole-2,3-dione
Technique GC/MS
Wiley ID DD2024_032348