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4,4-Dimethyl-1-(tolylthio)-3-(N-fluoren-9-ylmethoxycarbonyl)-1-nitropentene
SpectraBase Compound ID 8fWJyNlifA7
InChI InChI=1S/C29H30N2O4S/c1-19-13-15-20(16-14-19)36-27(31(33)34)17-26(29(2,3)4)30-28(32)35-18-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-17,25-26H,18H2,1-4H3,(H,30,32)/b27-17-/t26-/m1/s1
InChIKey IUJRGIQSHPXSNV-OZVJIIIZSA-N
Mol Weight 502.63 g/mol
Molecular Formula C29H30N2O4S
Exact Mass 502.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MzHw0sn8yQ
Name 4,4-Dimethyl-1-(tolylthio)-3-(N-fluoren-9-ylmethoxycarbonyl)-1-nitropentene
Alternate Name(s) (R)-3-(N-Fluoren-9-ylmethoxycarbonylamino)-3-t-butyl-1-(4'-tolylthio)-1-nitroprop-1-ene 3-(N-Fluoren-9-ylmethoxycarbonylamino)-3-t-butyl-1-(4'-tolylthio)-1-nitroprop-1-ene 9H-fluoren-9-ylmethyl (1R,2Z)-1-tert-butyl-3-[(4-methylphenyl)sulfanyl]-3-nitro-2-propenylcarbamate
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Formula C29H30N2O4S
InChI InChI=1S/C29H30N2O4S/c1-19-13-15-20(16-14-19)36-27(31(33)34)17-26(29(2,3)4)30-28(32)35-18-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-17,25-26H,18H2,1-4H3,(H,30,32)/b27-17-/t26-/m1/s1
InChIKey IUJRGIQSHPXSNV-OZVJIIIZSA-N
Molecular Weight 502.629 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@](\C=C\(N(=O)=O)Sc1ccc(cc1)C)(C(C)(C)C)[H]
SPLASH splash10-004i-0930000000-cefa6ff0ed4a257f0862
Source of Spectrum SO-0-2307-29
Wiley ID 849691