For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(4S)-(2'-METHYLTHIO)-ETHYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
SpectraBase Compound ID I0s3aHvROya
InChI InChI=1S/2C10H25N3S.6C2HF3O2/c2*1-3-13-10(5-8-14-2)9-12-7-4-6-11;6*3-2(4,5)1(6)7/h2*10,12-13H,3-9,11H2,1-2H3;6*(H,6,7)/t2*10-;;;;;;/m00....../s1
InChIKey VMEDHGJHXHMDQZ-JZJKCPHKSA-N
Mol Weight 1122.921 g/mol
Molecular Formula C32H56F18N6O12S2
Exact Mass 1122.311021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LQJN0Qiq5yS
Name (4S)-(2'-METHYLTHIO)-ETHYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
Compound Number 8F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H56F18N6O12S2
InChI InChI=1S/2C10H25N3S.6C2HF3O2/c2*1-3-13-10(5-8-14-2)9-12-7-4-6-11;6*3-2(4,5)1(6)7/h2*10,12-13H,3-9,11H2,1-2H3;6*(H,6,7)/t2*10-;;;;;;/m00....../s1
InChIKey VMEDHGJHXHMDQZ-JZJKCPHKSA-N
Literature Reference Author S.MANKU,C.LAPLANTE,D.KOPAC,T.CHAN,D.G.HALL
Literature Reference Citation J.ORG.CHEM.,66,874(2001)
Literature Reference DOI 10.1021/jo005647g
Molecular Weight 1122.921 g/mol
Solvent CD3OD
Source File Reference UWVN26151