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2-ACETOXY-1-ISOPROPYL-4-METHYLBENZENE
SpectraBase Compound ID INvj5DRDnaD
InChI InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3
InChIKey WFMIUXMJJBBOGJ-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 DZioco4XEhK
Name O-Acetylthymol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3
InChIKey WFMIUXMJJBBOGJ-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.9b00339
Molecular Weight 192.258 g/mol
SMILES c1c(c(cc(c1)C)OC(C)=O)C(C)C
SPLASH splash10-000i-1900000000-d5b20f0f6f7b7823d86c
Source of Spectrum G4-83-SM11-13
Thin-Layer Chromatography Rf = 0.83
Wiley ID 1876870