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[(2R,3S)-3-tert-butyl-2-oxiranyl]-phenylmethanone
SpectraBase Compound ID G7mA1RkKYbf
InChI InChI=1S/C13H16O2/c1-13(2,3)12-11(15-12)10(14)9-7-5-4-6-8-9/h4-8,11-12H,1-3H3/t11-,12+/m0/s1
InChIKey CYMARHWTEOVVMO-NWDGAFQWSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaARgZtnL3A
Name [(2R,3S)-3-tert-butyl-2-oxiranyl]-phenylmethanone
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-13(2,3)12-11(15-12)10(14)9-7-5-4-6-8-9/h4-8,11-12H,1-3H3/t11-,12+/m0/s1
InChIKey CYMARHWTEOVVMO-NWDGAFQWSA-N
Molecular Weight 204.269 g/mol
SMILES [C@@]1(O[C@]1(C(C)(C)C)[H])(C(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-1601c86ccc1b42e477b5
Source of Spectrum KC-0-347-33
Synonyms [(2R,3S)-3-tert-butyloxiran-2-yl]-phenyl-methanone
Wiley ID 785074