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2-(N-Fluoren-9-ylmethoxycarbonylamino)-2-benzyl-1-(benzylamino)-1-(4'-tolylthiocarbonyl)ethane

View entire compound with spectra: 1 MS (GC)

2-(N-Fluoren-9-ylmethoxycarbonylamino)-2-benzyl-1-(benzylamino)-1-(4'-tolylthiocarbonyl)ethane
SpectraBase Compound ID 6O1Z2zuenW9
InChI InChI=1S/C39H36N2O3S/c1-27-20-22-30(23-21-27)45-38(42)37(40-25-29-14-6-3-7-15-29)36(24-28-12-4-2-5-13-28)41-39(43)44-26-35-33-18-10-8-16-31(33)32-17-9-11-19-34(32)35/h2-23,35-37,40H,24-26H2,1H3,(H,41,43)/t36-,37-/m0/s1
InChIKey WBGAJRZQAVFLRD-BCRBLDSWSA-N
Mol Weight 612.8 g/mol
Molecular Formula C39H36N2O3S
Exact Mass 612.244664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBOLbxXniUd
Name 2-(N-Fluoren-9-ylmethoxycarbonylamino)-2-benzyl-1-(benzylamino)-1-(4'-tolylthiocarbonyl)ethane
Alternate Name(s) (2S,3S)-2-Benzylamino-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenyl-thiobutyric acid S-p-tolyl ester 1-Benzylamino-2-benzyl-1-(tolylthiocarbonyl)-2-(N-fluoren-9-ylmethoxycarbonyl)ethane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H36N2O3S
InChI InChI=1S/C39H36N2O3S/c1-27-20-22-30(23-21-27)45-38(42)37(40-25-29-14-6-3-7-15-29)36(24-28-12-4-2-5-13-28)41-39(43)44-26-35-33-18-10-8-16-31(33)32-17-9-11-19-34(32)35/h2-23,35-37,40H,24-26H2,1H3,(H,41,43)/t36-,37-/m0/s1
InChIKey WBGAJRZQAVFLRD-BCRBLDSWSA-N
Molecular Weight 612.788 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@]([C@@](C(Sc1ccc(cc1)C)=O)(NCc1ccccc1)[H])(Cc1ccccc1)[H]
SPLASH splash10-004i-0900000000-0545a7fe36c0d977084d
Source of Spectrum CV-2002-2307-35
Wiley ID 1610343