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2-Phenyl-3-methyl-3-oxiranecarboxylic acid
SpectraBase Compound ID AcrnA5RFwxT
InChI InChI=1S/C10H10O3/c1-10(9(11)12)8(13-10)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)
InChIKey UPEAOFCHTFWNFG-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Smr9R7wjBS
Name 2-Phenyl-3-methyl-3-oxiranecarboxylic acid
Alternate Name(s) 2-methyl-3-phenyl-2-oxiranecarboxylic acid 2-methyl-3-phenyl-oxirane-2-carboxylic acid 2-methyl-3-phenyloxirane-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-10(9(11)12)8(13-10)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,12)
InChIKey UPEAOFCHTFWNFG-UHFFFAOYSA-N
Molecular Weight 178.187 g/mol
SMILES OC(C1(OC1c1ccccc1)C)=O
SPLASH splash10-00di-0900000000-027312f683c4e6dee6ab
Source of Spectrum F-50-4969-32a
Wiley ID 1188438