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2-[(N-Cbz-N-p-tolylsulfanyl)amino]-3,3,3-trifluoropropanol
SpectraBase Compound ID FJzDdEffZ6S
InChI InChI=1S/C18H18F3NO3S/c1-13-7-9-15(10-8-13)26-22(16(11-23)18(19,20)21)17(24)25-12-14-5-3-2-4-6-14/h2-10,16,23H,11-12H2,1H3/t16-/m1/s1
InChIKey TWSNSXBWYWADPW-MRXNPFEDSA-N
Mol Weight 385.4 g/mol
Molecular Formula C18H18F3NO3S
Exact Mass 385.095949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKsrkgHmnqe
Name 2-[(N-Cbz-N-p-tolylsulfanyl)amino]-3,3,3-trifluoropropanol
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Formula C18H18F3NO3S
InChI InChI=1S/C18H18F3NO3S/c1-13-7-9-15(10-8-13)26-22(16(11-23)18(19,20)21)17(24)25-12-14-5-3-2-4-6-14/h2-10,16,23H,11-12H2,1H3/t16-/m1/s1
InChIKey TWSNSXBWYWADPW-MRXNPFEDSA-N
Molecular Weight 385.401 g/mol
SMILES OC[C@@](N(C(OCc1ccccc1)=O)Sc1ccc(cc1)C)(C(F)(F)F)[H]
SPLASH splash10-0076-7639000000-673ce9a8f3d345390c1d
Source of Spectrum J-61-3386-24
Synonyms 2-[(N-Cbz-N-p-tolylsulfinyl)amino]-3,3,3-trifluoropropanol benzyl (4-methylphenyl)sulfanyl[(1R)-2,2,2-trifluoro-1-(hydroxymethyl)ethyl]carbamate N-Cbz-N-(p-tolylthio)-3,3,3-trifluoroalaninol
Wiley ID 1362119