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Methyl (4-tert-butylphenyl)acetate
SpectraBase Compound ID 9gTMrQqQu81
InChI InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3
InChIKey HXVTYMWVMVKVTF-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 JIFdGLBIpkG
Name Methyl (4-tert-butylphenyl)acetate
CAS Registry Number 3549-23-3
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3
InChIKey HXVTYMWVMVKVTF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 206.285 g/mol
Nominal Mass 206 u
Quality 734
Retention Index 1491
SMILES C(C=1C=CC(=CC1)CC(OC)=O)(C)(C)C
SPLASH splash10-0006-3900000000-55858b70b2f69bc52d46
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl (4-tert-butylphenyl)acetate
Technique GC/MS
Wiley ID DD2024_011577