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2-[(3S,4R)-1-[(1S,2S)-2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)-ethyl]-2-oxo-4-((E)-styryl)-azetidin-3-yl]-isoindole-1,3-dione

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2-[(3S,4R)-1-[(1S,2S)-2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)-ethyl]-2-oxo-4-((E)-styryl)-azetidin-3-yl]-isoindole-1,3-dione
SpectraBase Compound ID KBSHaeSCAth
InChI InChI=1S/C28H23N3O7/c32-16-23(25(33)18-11-13-19(14-12-18)31(37)38)29-22(15-10-17-6-2-1-3-7-17)24(28(29)36)30-26(34)20-8-4-5-9-21(20)27(30)35/h1-15,22-25,32-33H,16H2/b15-10+/t22-,23+,24+,25+/m1/s1
InChIKey JBRYXGDALIRTBU-COGYLNPZSA-N
Mol Weight 513.51 g/mol
Molecular Formula C28H23N3O7
Exact Mass 513.1536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qZRqmalCiu
Name 2-[(3S,4R)-1-[(1S,2S)-2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)-ethyl]-2-oxo-4-((E)-styryl)-azetidin-3-yl]-isoindole-1,3-dione
Alternate Name(s) 1-[(1'S,2'S)-1'-Phenyl-1',3'-dihydroxy-2-propyl]-3(R)-phthalimido-4(S)-styrylazetidin-2-one 2-{(3S,4R)-1-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidinyl}-1H-isoindole-1,3(2H)-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23N3O7
InChI InChI=1S/C28H23N3O7/c32-16-23(25(33)18-11-13-19(14-12-18)31(37)38)29-22(15-10-17-6-2-1-3-7-17)24(28(29)36)30-26(34)20-8-4-5-9-21(20)27(30)35/h1-15,22-25,32-33H,16H2/b15-10+/t22-,23+,24+,25+/m1/s1
InChIKey JBRYXGDALIRTBU-COGYLNPZSA-N
Molecular Weight 513.506 g/mol
SMILES O[C@]([C@](CO)(N1[C@@]([C@](N2C(c3ccccc3C2=O)=O)(C1=O)[H])(\C=C\c1ccccc1)[H])[H])(c1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-001i-0090000000-620dbbc007923d7c395f
Source of Spectrum F-53-7991-7
Wiley ID 802504