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

*Links on SpectraBase are not permalinks.
(2R)-N-{(2S)-2-{[bis(Methylthio) methylidene]amino}-3-(4'-bromophenyl)propan-1-oyl}-bornane-10,2-sultam
SpectraBase Compound ID 1xGgYs0ISQI
InChI InChI=1S/C22H29BrN2O3S3/c1-21(2)15-9-10-22(21)13-31(27,28)25(18(22)12-15)19(26)17(24-20(29-3)30-4)11-14-5-7-16(23)8-6-14/h5-8,15,17-18H,9-13H2,1-4H3/t15-,17-,18+,22-/m0/s1
InChIKey JAYMMSVEEJXDFJ-FCQWJQKHSA-N
Mol Weight 545.57 g/mol
Molecular Formula C22H29BrN2O3S3
Exact Mass 544.052369 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 KAhIPxUJfoY
Name (2R)-N-{(2S)-2-{[bis(Methylthio) methylidene]amino}-3-(4'-bromophenyl)propan-1-oyl}-bornane-10,2-sultam
Alternate Name(s) Dimethyl (1S)-1-(4-bromobenzyl)-2-[(5R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-2-oxoethyldithioimidocarbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29BrN2O3S3
InChI InChI=1S/C22H29BrN2O3S3/c1-21(2)15-9-10-22(21)13-31(27,28)25(18(22)12-15)19(26)17(24-20(29-3)30-4)11-14-5-7-16(23)8-6-14/h5-8,15,17-18H,9-13H2,1-4H3/t15-,17-,18+,22-/m0/s1
InChIKey JAYMMSVEEJXDFJ-FCQWJQKHSA-N
Molecular Weight 545.569 g/mol
SMILES [C@@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C([C@@](N=C(SC)SC)(Cc1ccc(cc1)Br)[H])=O)[H]
SPLASH splash10-0f9i-2915630000-bafdccadb8bb67578434
Source of Spectrum H-77-2373-3
Wiley ID 1405002