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(2R,2'R)-1,2-[N,N'-(tert-Butoxycarbonyl)biindoline]-1-(methanesulfonyl)ethane

View entire compound with spectra: 1 MS (GC)

(2R,2'R)-1,2-[N,N'-(tert-Butoxycarbonyl)biindoline]-1-(methanesulfonyl)ethane
SpectraBase Compound ID Av1CrIg8LJ4
InChI InChI=1S/C27H36N2O7S/c1-26(2,3)34-24(30)28-20-14-10-8-12-18(20)17-23(36-37(7,32)33)22-16-19-13-9-11-15-21(19)29(22)25(31)35-27(4,5)6/h8-15,22-23H,16-17H2,1-7H3,(H,28,30)/t22-,23-/m1/s1
InChIKey FLMBNPNILQSTQT-DHIUTWEWSA-N
Mol Weight 532.7 g/mol
Molecular Formula C27H36N2O7S
Exact Mass 532.224323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OqH1b4gKl4
Name (2R,2'R)-1,2-[N,N'-(tert-Butoxycarbonyl)biindoline]-1-(methanesulfonyl)ethane
Alternate Name(s) (R)-2-[(R)-2-(2-tert-Butoxycarbonylamino-phenyl)-1-methanesulfonyloxy-ethyl]-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O7S
InChI InChI=1S/C27H36N2O7S/c1-26(2,3)34-24(30)28-20-14-10-8-12-18(20)17-23(36-37(7,32)33)22-16-19-13-9-11-15-21(19)29(22)25(31)35-27(4,5)6/h8-15,22-23H,16-17H2,1-7H3,(H,28,30)/t22-,23-/m1/s1
InChIKey FLMBNPNILQSTQT-DHIUTWEWSA-N
Molecular Weight 532.652 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c(C[C@]([C@@]2(N(C(OC(C)(C)C)=O)c3c(cccc3)C2)[H])(OS(=O)(=O)C)[H])cccc1
SPLASH splash10-014i-0900020000-51429bef0e4be979812e
Source of Spectrum F-66-6968-11
Wiley ID 1684415