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2-Tert-butylphenyl 3-phenylpropynoate
SpectraBase Compound ID vTRmRQg3kz
InChI InChI=1S/C19H18O2/c1-19(2,3)16-11-7-8-12-17(16)21-18(20)14-13-15-9-5-4-6-10-15/h4-12H,1-3H3
InChIKey VBELKMQKXFXKCC-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C19H18O2
Exact Mass 278.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrMcj5gQ1Xy
Name 2-tert-Butylphenyl 3-phenylpropynoate
CAS Registry Number 127354-43-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O2
InChI InChI=1S/C19H18O2/c1-19(2,3)16-11-7-8-12-17(16)21-18(20)14-13-15-9-5-4-6-10-15/h4-12H,1-3H3
InChIKey VBELKMQKXFXKCC-UHFFFAOYSA-N
Molecular Weight 278.351 g/mol
SMILES C(#Cc1ccccc1)C(Oc1c(C(C)(C)C)cccc1)=O
SPLASH splash10-004i-0920000000-0bd942716fedca6f8a1f
Source of Spectrum J-55-4370-20
Synonyms 2-tert-Butylphenyl 3-phenyl-2-propynoate
Wiley ID 1282526