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3-Benzyl-1-(tolylthio)-3-(N-fluoren-9-ylmethoxycarbonyl)-1-nitropropene
SpectraBase Compound ID KR57rwMxSGT
InChI InChI=1S/C32H28N2O4S/c1-22-15-17-25(18-16-22)39-31(34(36)37)20-24(19-23-9-3-2-4-10-23)33-32(35)38-21-30-28-13-7-5-11-26(28)27-12-6-8-14-29(27)30/h2-18,20,24,30H,19,21H2,1H3,(H,33,35)/b31-20-/t24-/m0/s1
InChIKey IPCTXAOASAWBNR-PVWQUUJCSA-N
Mol Weight 536.6 g/mol
Molecular Formula C32H28N2O4S
Exact Mass 536.176979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVLYzW4s5Zd
Name 3-Benzyl-1-(tolylthio)-3-(N-fluoren-9-ylmethoxycarbonyl)-1-nitropropene
Alternate Name(s) 3(S)-(N-Fluoren-9-ylmethoxycarbonylamino)-3-benzyl-1-(4'-tolylthio)-1-nitroprop-1-ene 3(S)-(N-Fluoren-9-ylmethoxycarbonylamino)-3-benzyl-1-(4-tolylthio)-1-nitroprop-1-ene 3-(N-Fluoren-9-ylmethoxycarbonylamino)-3-benzyl-1-(4'-tolylthio)-1-nitroprop-1-ene 9H-fluoren-9-ylmethyl (1S,2Z)-1-benzyl-3-[(4-methylphenyl)sulfanyl]-3-nitro-2-propenylcarbamate
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Formula C32H28N2O4S
InChI InChI=1S/C32H28N2O4S/c1-22-15-17-25(18-16-22)39-31(34(36)37)20-24(19-23-9-3-2-4-10-23)33-32(35)38-21-30-28-13-7-5-11-26(28)27-12-6-8-14-29(27)30/h2-18,20,24,30H,19,21H2,1H3,(H,33,35)/b31-20-/t24-/m0/s1
InChIKey IPCTXAOASAWBNR-PVWQUUJCSA-N
Molecular Weight 536.646 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@](\C=C\(N(=O)=O)Sc1ccc(cc1)C)(Cc1ccccc1)[H]
SPLASH splash10-004i-0900300000-0a1a4a41fc2715575205
Source of Spectrum CV-2002-2307-29
Wiley ID 1610352