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Isopropyl 4-propylbenzoate
SpectraBase Compound ID CFFFeq3dzuh
InChI InChI=1S/C13H18O2/c1-4-5-11-6-8-12(9-7-11)13(14)15-10(2)3/h6-10H,4-5H2,1-3H3
InChIKey ULSICSNHHRVYSZ-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51UmJpFaSkl
Name Isopropyl 4-propylbenzoate
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 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-4-5-11-6-8-12(9-7-11)13(14)15-10(2)3/h6-10H,4-5H2,1-3H3
InChIKey ULSICSNHHRVYSZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 206.285 g/mol
Nominal Mass 206 u
Quality 950
Retention Index 1519
SMILES C1(C(OC(C)C)=O)=CC=C(C=C1)CCC
SPLASH splash10-0005-5900000000-2015fbcd8907251e66ef
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,4-propyl-,isopropyl ester Isopropyl-4-propylbenzoate
Technique GC/MS
Wiley ID DD2024_022654