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

*Links on SpectraBase are not permalinks.
1-{5-(7,7-Dimethyl-3-tosyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylfuran-3-yl}ethanone
SpectraBase Compound ID 220u0iB8djc
InChI InChI=1S/C22H27NO4S/c1-14-6-8-17(9-7-14)28(25,26)23-11-10-22(19(13-23)21(22,4)5)20-12-18(15(2)24)16(3)27-20/h6-9,12,19H,10-11,13H2,1-5H3/t19-,22-/m0/s1
InChIKey PXACOCHOESYSTO-UGKGYDQZSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 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 KxG318SiYyV
Name 1-{5-(7,7-Dimethyl-3-tosyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylfuran-3-yl}ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4S
InChI InChI=1S/C22H27NO4S/c1-14-6-8-17(9-7-14)28(25,26)23-11-10-22(19(13-23)21(22,4)5)20-12-18(15(2)24)16(3)27-20/h6-9,12,19H,10-11,13H2,1-5H3/t19-,22-/m0/s1
InChIKey PXACOCHOESYSTO-UGKGYDQZSA-N
Literature Reference DOI 10.1002/anie.201500625
Molecular Weight 401.521 g/mol
SMILES C1N(CC[C@]2([C@@]1(C2(C)C)[H])c1oc(c(c1)C(C)=O)C)S(=O)(=O)c1ccc(C)cc1
SPLASH splash10-00kb-2091000000-5ae29111f78bbc4feb8f
Source of Spectrum ACI-54-5744/SM16-7i
Synonyms 1-(5-((1S,6R)-7,7-dimethyl-3-tosyl-3-azabicyclo[4.1.0]heptan-6-yl)-2-methylfuran-3-yl)ethanone
Wiley ID 1761191