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Dimethyl 2-chloro-2a-azabenz[cd]azulene-4,5-dicarboxylate
SpectraBase Compound ID 25oitBM8hn3
InChI InChI=1S/C16H12ClNO4/c1-21-15(19)11-8-18-12(17)7-9-5-3-4-6-10(14(9)18)13(11)16(20)22-2/h3-8H,1-2H3
InChIKey FFOOOLDAVGVRPM-UHFFFAOYSA-N
Mol Weight 317.73 g/mol
Molecular Formula C16H12ClNO4
Exact Mass 317.045486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RyGNWJ122o
Name Dimethyl 2-chloro-2a-azabenz[cd]azulene-4,5-dicarboxylate
Alternate Name(s) Dimethyl 2-chlorocyclohepta[hi]indolizine-5,6-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClNO4
InChI InChI=1S/C16H12ClNO4/c1-21-15(19)11-8-18-12(17)7-9-5-3-4-6-10(14(9)18)13(11)16(20)22-2/h3-8H,1-2H3
InChIKey FFOOOLDAVGVRPM-UHFFFAOYSA-N
Molecular Weight 317.728 g/mol
SMILES c1c([n]2c3C(C=CC=Cc13)=C(C(=C2)C(=O)OC)C(=O)OC)Cl
SPLASH splash10-014i-0069000000-2ffab3f9b053e3be5bd8
Source of Spectrum O1-59-66-5
Wiley ID 1591886