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Acemetacin
SpectraBase Compound ID D2RipacOqI9
InChI InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
InChIKey FSQKKOOTNAMONP-UHFFFAOYSA-N
Mol Weight 415.83 g/mol
Molecular Formula C21H18ClNO6
Exact Mass 415.082265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdHTLAyYfua
Name ACEMETACIN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H18ClNO6
InChI InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)
InChIKey FSQKKOOTNAMONP-UHFFFAOYSA-N
Instrument Name DI
Molecular Weight 415.829 g/mol
SMILES c1(cc2c(c(C)[n](C(c3ccc(Cl)cc3)=O)c2cc1)CC(OCC(=O)O)=O)OC
SPLASH splash10-000i-0900100000-2b37af6a502c5aaf1ddd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany