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Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester
SpectraBase Compound ID 8ikjRahR4a7
InChI InChI=1S/C16H16O2/c1-12-3-7-14(8-4-12)11-18-16(17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey JSMHXVURHYHQGT-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2omIDwZhoYa
Name 4-Methylbenzoicacid-4-methyltolyl ester
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 240.115029753 u
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-12-3-7-14(8-4-12)11-18-16(17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey JSMHXVURHYHQGT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 240.302 g/mol
Nominal Mass 240 u
Quality 1000
Retention Index 1957
SMILES C=1(C(OCC=2C=CC(=CC2)C)=O)C=CC(=CC1)C
SPLASH splash10-066u-5920000000-4ca551fba122d0ef0074
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (4-Methylphenyl)methyl-4-methyl benzoate
Technique GC/MS
Wiley ID DD2024_025015