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Isobutyl ortho toluate
SpectraBase Compound ID 9GpRpsVuLDx
InChI InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChIKey WBNOXPDHXZDLCY-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 8HbzfOTtblo
Name Isobutyl 2-methylbenzoate
CAS Registry Number 32276-64-5
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/c1-9(2)8-14-12(13)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChIKey WBNOXPDHXZDLCY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 192.258 g/mol
Nominal Mass 192 u
Quality 907
Retention Index 1413
SMILES C=1(C(=CC=CC1)C)C(OCC(C)C)=O
SPLASH splash10-014i-7900000000-6be746e710a42f541163
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,2-methyl,(2-methylpropyl)ester Isobutyl-2-methyl benzoate
Technique GC/MS
Wiley ID DD2024_022440