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ETHYL_3-O-ACETYLNIDULOIC_ACID;ETHYL-(S)-3-ACETOXY-5-(PARA-HYDROXYPHENYL)-PENTANOATE
SpectraBase Compound ID An4G9df5TI3
InChI InChI=1S/C15H20O5/c1-3-19-15(18)10-14(20-11(2)16)9-6-12-4-7-13(17)8-5-12/h4-5,7-8,14,17H,3,6,9-10H2,1-2H3/t14-/m0/s1
InChIKey KIHREBPBKASOMN-AWEZNQCLSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2E8S64m57w
Name (3S)-3-acetoxy-5-(4-hydroxyphenyl)valeric acid ethyl ester
Alternate Name(s) (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoic acid ethyl ester Ethyl (3S)-3-acetoxy-5-(4-hydroxyphenyl)pentanoate
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Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-3-19-15(18)10-14(20-11(2)16)9-6-12-4-7-13(17)8-5-12/h4-5,7-8,14,17H,3,6,9-10H2,1-2H3/t14-/m0/s1
InChIKey KIHREBPBKASOMN-AWEZNQCLSA-N
Molecular Weight 280.320 g/mol
SMILES Oc1ccc(CC[C@](OC(=O)C)(CC(=O)OCC)[H])cc1
SPLASH splash10-05is-0920000000-2fc40fd556b4ed05a74e
Source of Spectrum X2-68-1184-8
Wiley ID 1609673