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Indomethacin
SpectraBase Compound ID 3GhWVCuH0IH
InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey CGIGDMFJXJATDK-UHFFFAOYSA-N
Mol Weight 357.79 g/mol
Molecular Formula C19H16ClNO4
Exact Mass 357.076786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oOPv6kCmFU
Name Indometacin
CAS Registry Number 53-86-1
Classification Pharmaceutical drug, antiphlogistic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 357.076785695 u
Formula C19H16ClNO4
InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey CGIGDMFJXJATDK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 357.793 g/mol
Nominal Mass 357 u
Quality 935
Retention Index 2685
SMILES OC(CC=1C=2C(N(C1C)C(C1=CC=C(C=C1)Cl)=O)=CC=C(C2)OC)=O
SPLASH splash10-000i-0901000000-bd20c88b39790f25a4d9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Indomethacin Indomethacine [1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
Technique GC/MS
Wiley ID DD2024_001748