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Isopropyl 4-methylbenzoate
SpectraBase Compound ID Cu0PXcECHhz
InChI InChI=1S/C11H14O2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey ONWRVKPIVJMSHO-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECuNn0Gus2p
Name Isopropyl 4-methylbenzoate
CAS Registry Number 19277-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey ONWRVKPIVJMSHO-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES CC(OC(=O)c1ccc(C)cc1)C
SPLASH splash10-014l-8900000000-dd2d9f2dfeb57b0fbb31
Synonyms 4-Methylbenzoic acid isopropyl ester i-Propyl 4-methylbenzoate 4-Methylbenzoic acid propan-2-yl ester Benzoic acid, 4-methyl-, 1-methylethyl ester p-Toluic acid, isopropyl ester Propan-2-yl 4-methylbenzoate
Wiley ID 1494439