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[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate
SpectraBase Compound ID 6jaiDZjm05L
InChI InChI=1S/C21H22O5/c1-14(2)19(22)26-18-11-15(3)9-10-17(18)21(13-25-21)12-24-20(23)16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3
InChIKey FJLQUQYSVZGXDR-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNBM8aJ2iip
Name [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl benzoate
CAS Registry Number 62458-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-14(2)19(22)26-18-11-15(3)9-10-17(18)21(13-25-21)12-24-20(23)16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3
InChIKey FJLQUQYSVZGXDR-UHFFFAOYSA-N
Molecular Weight 354.402 g/mol
SMILES C(=O)(OCC1(CO1)c1c(cc(C)cc1)OC(C(C)C)=O)c1ccccc1
SPLASH splash10-0a4i-3900000000-99b3738d8453f3e5a851
Source of Spectrum K-110-312-0
Synonyms benzoic acid [2-[4-methyl-2-(2-methyl-1-oxopropoxy)phenyl]-2-oxiranyl]methyl ester BOHLMANN K2687
Wiley ID 1344675