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[(2,3-DIHYDRO-1,3-DIOXO-1H-BENZ[de]ISOQUINOLIN-6-YL)THIO]ACETIC ACID, ETHYLESTER
SpectraBase Compound ID Kofd3koHHPZ
InChI InChI=1S/C16H13NO4S/c1-2-21-13(18)8-22-12-7-6-11-14-9(12)4-3-5-10(14)15(19)17-16(11)20/h3-7H,2,8H2,1H3,(H,17,19,20)
InChIKey JFDZCFXFHSJUHA-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C16H13NO4S
Exact Mass 315.056529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4c1EKvNIwqO
Name [(2,3-DIHYDRO-1,3-DIOXO-1H-BENZ[de]ISOQUINOLIN-6-YL)THIO]ACETIC ACID, ETHYLESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO4S
InChI InChI=1S/C16H13NO4S/c1-2-21-13(18)8-22-12-7-6-11-14-9(12)4-3-5-10(14)15(19)17-16(11)20/h3-7H,2,8H2,1H3,(H,17,19,20)
InChIKey JFDZCFXFHSJUHA-UHFFFAOYSA-N
Melting Point 166-167C
Molecular Weight 315.35
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ACETIC ACID, //2,3-DIHYDRO-1,3-DIOXO-1H-BENZ/DE/ISOQUINOLIN-6-YL/THIO/ETHYL ESTER