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

*Links on SpectraBase are not permalinks.
(S)-O-{1-Methyl-3-[methyl(p-toluenesulfonyl)amino]butyl} o-(p-tolyl)thiocarbonate
SpectraBase Compound ID HfvblR2w1BO
InChI InChI=1S/C21H27NO4S2/c1-15-6-10-19(11-7-15)26-21(27)25-18(4)14-17(3)22(5)28(23,24)20-12-8-16(2)9-13-20/h6-13,17-18H,14H2,1-5H3/t17-,18?/m0/s1
InChIKey NKCAQRINXPYBJB-ZENAZSQFSA-N
Mol Weight 421.57 g/mol
Molecular Formula C21H27NO4S2
Exact Mass 421.138151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID GsdIquru1rU
Name (S)-O-{1-Methyl-3-[methyl(p-toluenesulfonyl)amino]butyl} o-(p-tolyl)thiocarbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO4S2
InChI InChI=1S/C21H27NO4S2/c1-15-6-10-19(11-7-15)26-21(27)25-18(4)14-17(3)22(5)28(23,24)20-12-8-16(2)9-13-20/h6-13,17-18H,14H2,1-5H3/t17-,18?/m0/s1
InChIKey NKCAQRINXPYBJB-ZENAZSQFSA-N
Molecular Weight 421.570 g/mol
SMILES [C@](N(S(c1ccc(cc1)C)(=O)=O)C)(CC(OC(=S)Oc1ccc(cc1)C)C)(C)[H]
SPLASH splash10-03di-1290000000-615fa0e0565d44b1c684
Source of Spectrum U1-2002-2753-35
Synonyms O-((3S)-1-methyl-3-{methyl[(4-methylphenyl)sulfonyl]amino}butyl) O-(4-methylphenyl) thiocarbonate O-{1-Methyl-3-[methyl(p-toluenesulfonyl)amino]butyl} o-(p-tolyl)thiocarbonate
Wiley ID 1522980