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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 108ahrrvhxq
Name Isopropyl-p-toluate
CAS Registry Number 19277-55-5
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 178.099379689 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 178.231 g/mol
Nominal Mass 178 u
Quality 894
Retention Index 1312
SMILES C1(C(OC(C)C)=O)=CC=C(C=C1)C
SPLASH splash10-014l-9400000000-1d23a003c5ee7837812a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,4-methyl-,1-methylethyl ester Isopropyl p-toluate p-Toluic acid isopropyl ester Isopropyl-4-methyl benzoate
Technique GC/MS
Wiley ID DD2024_014684