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Isopropyl 4-acetylbenzoate
SpectraBase Compound ID FeybqCAPlg6
InChI InChI=1S/C12H14O3/c1-8(2)15-12(14)11-6-4-10(5-7-11)9(3)13/h4-8H,1-3H3
InChIKey DQQVADFLIZSTDK-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgA6VGjTiyo
Name Isopropyl 4-acetylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-8(2)15-12(14)11-6-4-10(5-7-11)9(3)13/h4-8H,1-3H3
InChIKey DQQVADFLIZSTDK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201606048
Molecular Weight 206.241 g/mol
Quality 54
SMILES C(C)(C)OC(C1=CC=C(C=C1)C(C)=O)=O
SPLASH splash10-0005-0900000000-3b16d23769030f6b4d47
Source of Spectrum QE-23-SM1-Table 3, Entry 2 (DOI: 10.1002/chem.201606048)
Wiley ID 1905544