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Isopropyl 4-ethylbenzoate
SpectraBase Compound ID FA4b04Sacdj
InChI InChI=1S/C12H16O2/c1-4-10-5-7-11(8-6-10)12(13)14-9(2)3/h5-9H,4H2,1-3H3
InChIKey MTTWKOGIBSWAOB-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 8IasNnPzUPo
Name Isopropyl 4-ethylbenzoate
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 192.115029753 u
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-4-10-5-7-11(8-6-10)12(13)14-9(2)3/h5-9H,4H2,1-3H3
InChIKey MTTWKOGIBSWAOB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 192.258 g/mol
Nominal Mass 192 u
Quality 980
Retention Index 1427
SMILES C1(C(OC(C)C)=O)=CC=C(C=C1)CC
SPLASH splash10-053r-4900000000-0ca92ea1c63fa4b5b55f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Ethylbenzoic acid isopropylyl ester 4-Ethylbenzoic acid isopropyl ester
Technique GC/MS
Wiley ID DD2024_015682