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Acemetacin methyl ester
SpectraBase Compound ID Lpx2EmN07vY
InChI InChI=1S/C22H20ClNO6/c1-13-17(11-20(25)30-12-21(26)29-3)18-10-16(28-2)8-9-19(18)24(13)22(27)14-4-6-15(23)7-5-14/h4-10H,11-12H2,1-3H3
InChIKey WHTHSWYUFZICQE-UHFFFAOYSA-N
Mol Weight 429.86 g/mol
Molecular Formula C22H20ClNO6
Exact Mass 429.097915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PVxU81CTT6
Name ACEMETACIN, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H20ClNO6
InChI InChI=1S/C22H20ClNO6/c1-13-17(11-20(25)30-12-21(26)29-3)18-10-16(28-2)8-9-19(18)24(13)22(27)14-4-6-15(23)7-5-14/h4-10H,11-12H2,1-3H3
InChIKey WHTHSWYUFZICQE-UHFFFAOYSA-N
Instrument Name GC
Molecular Weight 429.856 g/mol
SMILES c1(cc2c(c(C)[n](C(c3ccc(Cl)cc3)=O)c2cc1)CC(OCC(=O)OC)=O)OC
SPLASH splash10-000i-0900000000-96c0f792a6bf24176f86
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany