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Benzoic acid, 4-methyl-, 1-methylpropyl ester
SpectraBase Compound ID 7E8XCsV0Gy2
InChI InChI=1S/C12H16O2/c1-4-10(3)14-12(13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChIKey AYASXGIVXFMQBW-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2m9sKebQxpw
Name But-2-yl-p-toluate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 192.115029753 u
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-4-10(3)14-12(13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChIKey AYASXGIVXFMQBW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 192.258 g/mol
Nominal Mass 192 u
Quality 985
Retention Index 1406
SMILES C1(C(OC(CC)C)=O)=CC=C(C=C1)C
SPLASH splash10-014r-6900000000-7a5785989c08231e6267
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Butan-2-yl-4-methyl benzoate
Technique GC/MS
Wiley ID DD2024_010318