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Ibuprofen TMS
SpectraBase Compound ID FN1gz3gXzQK
InChI InChI=1S/C16H26O2Si/c1-12(2)11-14-7-9-15(10-8-14)13(3)16(17)18-19(4,5)6/h7-10,12-13H,11H2,1-6H3
InChIKey YCAAUQGUAZTIAV-UHFFFAOYSA-N
Mol Weight 278.47 g/mol
Molecular Formula C16H26O2Si
Exact Mass 278.170207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IfHsyyko9w
Name Ibuprofen TMS
CAS Registry Number 74810-89-2
Classification Pharmaceutical drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 278.170206610 u
Formula C16H26O2Si
InChI InChI=1S/C16H26O2Si/c1-12(2)11-14-7-9-15(10-8-14)13(3)16(17)18-19(4,5)6/h7-10,12-13H,11H2,1-6H3
InChIKey YCAAUQGUAZTIAV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 278.467 g/mol
Nominal Mass 278 u
Quality 991
Retention Index 1621
SMILES C=1(C(C(O[Si](C)(C)C)=O)C)C=CC(=CC1)CC(C)C
SPLASH splash10-0229-9520000000-0df1dff1ff695358b049
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Trimethylsilyl 2-(4-isobutylphenyl)propanoate
Technique GC/MS
Wiley ID DD2024_030868