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(S)-2-(1,3-Dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)propanoic acid
SpectraBase Compound ID 3liDczyOUog
InChI InChI=1S/C17H17NO3/c19-15-7-5-12(6-8-15)9-16(17(20)21)18-10-13-3-1-2-4-14(13)11-18/h1-8,16,19H,9-11H2,(H,20,21)/t16-/m0/s1
InChIKey RTUNZZNKARXNNJ-INIZCTEOSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvQdzVTi500
Name (S)-2-(1,3-Dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)propanoic acid
Alternate Name(s) (2S)-2-(1,3-dihydro-2H-isoindol-2-yl)-3-(4-hydroxyphenyl)propanoic acid
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Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c19-15-7-5-12(6-8-15)9-16(17(20)21)18-10-13-3-1-2-4-14(13)11-18/h1-8,16,19H,9-11H2,(H,20,21)/t16-/m0/s1
InChIKey RTUNZZNKARXNNJ-INIZCTEOSA-N
Molecular Weight 283.327 g/mol
SMILES Oc1ccc(C[C@@](C(=O)O)(N2Cc3c(C2)cccc3)[H])cc1
SPLASH splash10-0059-0910000000-df2b45c1fbe2835b5d8b
Source of Spectrum OP-33-348-4
Wiley ID 1577892