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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 Den5gu4hNOx
Name Methyl p-tert-butylphenyl acetate
CAS Registry Number 3549-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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
Molecular Weight 206.285 g/mol
SMILES COC(=O)Cc1ccc(C(C)(C)C)cc1
SPLASH splash10-0006-2900000000-cba433de218d591f27a8
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886714