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(2-Methylbutyl)-p-toluate
SpectraBase Compound ID 3toic6X86k2
InChI InChI=1S/C13H18O2/c1-4-10(2)9-15-13(14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3
InChIKey UCNQYFAXTYWAEO-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dl6uSNg74pE
Name (2-Methylbutyl)-p-toluate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-4-10(2)9-15-13(14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3
InChIKey UCNQYFAXTYWAEO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 206.285 g/mol
Nominal Mass 206 u
Quality 991
Retention Index 1539
SMILES C=1(C(OCC(CC)C)=O)C=CC(=CC1)C
SPLASH splash10-01b9-9500000000-42daad60b55bfc815573
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-methylbutyl 4-methylbenzoate
Technique GC/MS
Wiley ID DD2024_010340