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(S)-allyl 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(5-amino-1,3-dioxoisoindolin-2-yl)propanoate
SpectraBase Compound ID 8tICrQ7J7sX
InChI InChI=1S/C29H25N3O6/c1-2-13-37-28(35)25(15-32-26(33)22-12-11-17(30)14-23(22)27(32)34)31-29(36)38-16-24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24/h2-12,14,24-25H,1,13,15-16,30H2,(H,31,36)/t25-/m0/s1
InChIKey WLORHRKDZKPLOF-VWLOTQADSA-N
Mol Weight 511.53 g/mol
Molecular Formula C29H25N3O6
Exact Mass 511.174336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AbhS5ZpXmi
Name (S)-allyl 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(5-amino-1,3-dioxoisoindolin-2-yl)propanoate
Appearance Yellow fluorescent powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25N3O6
InChI InChI=1S/C29H25N3O6/c1-2-13-37-28(35)25(15-32-26(33)22-12-11-17(30)14-23(22)27(32)34)31-29(36)38-16-24-20-9-5-3-7-18(20)19-8-4-6-10-21(19)24/h2-12,14,24-25H,1,13,15-16,30H2,(H,31,36)/t25-/m0/s1
InChIKey WLORHRKDZKPLOF-VWLOTQADSA-N
Instrument Name Finnigan MAT95
Ionization Type EI
Literature Reference DOI 10.1002/cbic.201900520
Molecular Weight 511.534 g/mol
Reported Formula C29H25N3O6
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@@](CN1C(c2c(cc(cc2)N)C1=O)=O)(C(=O)OCC=C)[H]
SPLASH splash10-001i-0900000000-87af8c894a110594558a
Source of Spectrum CBC-21-SM41-6
Thin-Layer Chromatography Rf = 0.38 (MeCN/H2O, 67:33)
Wiley ID 1839779