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(2R,3R)-methyl 2-(1,3-dioxoisoindolin-2-yl)-3-phenylbutanoate
SpectraBase Compound ID 7hxxJEpbR0b
InChI InChI=1S/C19H17NO4/c1-12(13-8-4-3-5-9-13)16(19(23)24-2)20-17(21)14-10-6-7-11-15(14)18(20)22/h3-12,16H,1-2H3/t12-,16-/m1/s1
InChIKey QWIBPRFINJWPBR-MLGOLLRUSA-N
Mol Weight 323.35 g/mol
Molecular Formula C19H17NO4
Exact Mass 323.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMbpAJSucNs
Name (2R,3R)-methyl 2-(1,3-dioxoisoindolin-2-yl)-3-phenylbutanoate
Alternate Name(s) Methyl (2R,3R)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO4
InChI InChI=1S/C19H17NO4/c1-12(13-8-4-3-5-9-13)16(19(23)24-2)20-17(21)14-10-6-7-11-15(14)18(20)22/h3-12,16H,1-2H3/t12-,16-/m1/s1
InChIKey QWIBPRFINJWPBR-MLGOLLRUSA-N
Literature Reference DOI 10.1002/cber.19881210307
Molecular Weight 323.348 g/mol
SMILES [C@@]([C@@](N1C(c2c(C1=O)cccc2)=O)(C(OC)=O)[H])(c1ccccc1)(C)[H]
SPLASH splash10-056r-0900000000-cffb2a1c51bdf5c1452d
Source of Spectrum K-121-427-6e
Wiley ID 1799290