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1-[(2R,3S)-3-(4-methoxyphenyl)-2-oxiranyl]-2,2-dimethyl-1-propanone
SpectraBase Compound ID Cf2TumIptP1
InChI InChI=1S/C14H18O3/c1-14(2,3)13(15)12-11(17-12)9-5-7-10(16-4)8-6-9/h5-8,11-12H,1-4H3/t11-,12+/m0/s1
InChIKey ADAQMVZSBHGGOZ-NWDGAFQWSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IP6lzT9PmGS
Name 1-[(2R,3S)-3-(4-methoxyphenyl)-2-oxiranyl]-2,2-dimethyl-1-propanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-14(2,3)13(15)12-11(17-12)9-5-7-10(16-4)8-6-9/h5-8,11-12H,1-4H3/t11-,12+/m0/s1
InChIKey ADAQMVZSBHGGOZ-NWDGAFQWSA-N
Molecular Weight 234.295 g/mol
SMILES [C@@]1(O[C@]1(c1ccc(cc1)OC)[H])(C(C(C)(C)C)=O)[H]
SPLASH splash10-0kmi-7910000000-f1caf748820842cf26b8
Source of Spectrum KC-0-3504-12
Synonyms 1-[(2R,3S)-3-(4-methoxyphenyl)oxiran-2-yl]-2,2-dimethyl-propan-1-one
Wiley ID 823906