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2-[3,5-Bis(trifluoromethyl)phenylsulfonyl]ethyl N-(9-Fluorenylmethyloxycarbonyl)phenylalaninate
SpectraBase Compound ID 2hIAbc4WVmG
InChI InChI=1S/C34H27F6NO6S/c35-33(36,37)22-17-23(34(38,39)40)19-24(18-22)48(44,45)15-14-46-31(42)30(16-21-8-2-1-3-9-21)41-32(43)47-20-29-27-12-6-4-10-25(27)26-11-5-7-13-28(26)29/h1-13,17-19,29-30H,14-16,20H2,(H,41,43)/t30-/m0/s1
InChIKey JJNDPHOOLNBDGV-PMERELPUSA-N
Mol Weight 691.6 g/mol
Molecular Formula C34H27F6NO6S
Exact Mass 691.146328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vcnRyLOWvX
Name 2-[3,5-Bis(trifluoromethyl)phenylsulfonyl]ethyl N-(9-Fluorenylmethyloxycarbonyl)phenylalaninate
Alternate Name(s) 2-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}ethyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H27F6NO6S
InChI InChI=1S/C34H27F6NO6S/c35-33(36,37)22-17-23(34(38,39)40)19-24(18-22)48(44,45)15-14-46-31(42)30(16-21-8-2-1-3-9-21)41-32(43)47-20-29-27-12-6-4-10-25(27)26-11-5-7-13-28(26)29/h1-13,17-19,29-30H,14-16,20H2,(H,41,43)/t30-/m0/s1
InChIKey JJNDPHOOLNBDGV-PMERELPUSA-N
Molecular Weight 691.641 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@](C(OCCS(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(=O)=O)=O)(Cc1ccccc1)[H]
SPLASH splash10-0ar0-8920000000-1b2e913f115f039eda35
Source of Spectrum CV-2003-286-4
Wiley ID 1610860