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(2S,3R,5S)-5-Ethyl-5-hydroxy-3-methyl-2-phenyltetrahydrofuran-2-carboxylic acid
SpectraBase Compound ID 7K0A5Agt4z0
InChI InChI=1S/C14H18O4/c1-3-13(17)9-10(2)14(18-13,12(15)16)11-7-5-4-6-8-11/h4-8,10,17H,3,9H2,1-2H3,(H,15,16)/t10-,13+,14+/m1/s1
InChIKey BRYASXLUMWYSBN-SWHYSGLUSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMSSN9CJEg3
Name (2S,3R,5S)-5-Ethyl-5-hydroxy-3-methyl-2-phenyltetrahydrofuran-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-3-13(17)9-10(2)14(18-13,12(15)16)11-7-5-4-6-8-11/h4-8,10,17H,3,9H2,1-2H3,(H,15,16)/t10-,13+,14+/m1/s1
InChIKey BRYASXLUMWYSBN-SWHYSGLUSA-N
Molecular Weight 250.294 g/mol
SMILES O[C@]1(O[C@@](C(=O)O)([C@@](C1)(C)[H])c1ccccc1)CC
SPLASH splash10-0a4i-0900000000-27abea25d7d9b34f99ff
Source of Spectrum F-62-9179-5
Synonyms 2,3-dideoxy-1-C-ethyl-3-methyl-4-phenyl-.beta.-L-erythro-pentofuranuronic acid
Wiley ID 1640724