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tert-butyl 4-phenoxybutanoate
SpectraBase Compound ID CotVpBe2T4t
InChI InChI=1S/C14H20O3/c1-14(2,3)17-13(15)10-7-11-16-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKey YTJJIMVZMKKETR-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4O0G7jeAKqO
Name tert-butyl 4-phenoxybutanoate
Carrier Gas Helium (1 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
GC Column Restek Rtx-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 220oC
InChI InChI=1S/C14H20O3/c1-14(2,3)17-13(15)10-7-11-16-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKey YTJJIMVZMKKETR-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Thermo Scientific DSQII single quadrupole
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200313
Molecular Weight 236.311 g/mol
Quality 62
SMILES C1=C(C=CC=C1)OCCCC(OC(C)(C)C)=O
SPLASH splash10-053r-3910000000-12118bbfadd042067e10
Source of Spectrum QE-28-SM5-9 (DOI: 10.1002/chem.202200313)
Wiley ID 1900411