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5,9b-Diazabenz[cd]azulene-4-carboxylic acid, 1,1-dimethylethyl ester
SpectraBase Compound ID UT4bhqnTHn
InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-10-12-9-8-11-6-4-5-7-14(17-13)18(11)12/h4-10H,1-3H3
InChIKey SJJWAWOXURWFJP-UHFFFAOYSA-N
Mol Weight 268.32 g/mol
Molecular Formula C16H16N2O2
Exact Mass 268.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlPRteYY5A8
Name 5,9b-Diazabenz[cd]azulene-4-carboxylic acid, 1,1-dimethylethyl ester
CAS Registry Number 72649-16-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O2
InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-10-12-9-8-11-6-4-5-7-14(17-13)18(11)12/h4-10H,1-3H3
InChIKey SJJWAWOXURWFJP-UHFFFAOYSA-N
Molecular Weight 268.316 g/mol
SMILES C1=2[n]3c(ccc3C=CC=C1)C=C(N2)C(OC(C)(C)C)=O
SPLASH splash10-02tc-0950000000-d4edfc703a826850e0c0
Source of Spectrum K-112-3587-0
Synonyms tert-Butyl 5,9b-diazabenzo[cd]azulene-4-carboxylate tert-Butylester of 5,ab-diazabenz(cd)azulen-4-carboxylic acid
Wiley ID 1272333