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

*Links on SpectraBase are not permalinks.
Methyl 6-[2,2-Bis(methylthio)ethyl]-4.beta.-ethyl-2,3,4,5,6,7-hexahydro-1H-3,7-methano[1,4]diazonino[1,2-a]indole-2.alpha.-carboxylate
SpectraBase Compound ID 5QE67n1xDCs
InChI InChI=1S/C23H32N2O2S2/c1-5-15-12-24(14-22(28-3)29-4)20-11-17(15)18(23(26)27-2)13-25-19-9-7-6-8-16(19)10-21(20)25/h6-10,15,17-18,20,22H,5,11-14H2,1-4H3/t15-,17+,18-,20+/m1/s1
InChIKey RTVKKSWLXBYLFZ-QEEHTWDDSA-N
Mol Weight 432.6 g/mol
Molecular Formula C23H32N2O2S2
Exact Mass 432.190521 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 KKraRxJg7di
Name Methyl 6-[2,2-Bis(methylthio)ethyl]-4.beta.-ethyl-2,3,4,5,6,7-hexahydro-1H-3,7-methano[1,4]diazonino[1,2-a]indole-2.alpha.-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O2S2
InChI InChI=1S/C23H32N2O2S2/c1-5-15-12-24(14-22(28-3)29-4)20-11-17(15)18(23(26)27-2)13-25-19-9-7-6-8-16(19)10-21(20)25/h6-10,15,17-18,20,22H,5,11-14H2,1-4H3/t15-,17+,18-,20+/m1/s1
InChIKey RTVKKSWLXBYLFZ-QEEHTWDDSA-N
Molecular Weight 432.641 g/mol
SMILES c12[n](C[C@]([C@@]3([C@@](CN([C@]2(C3)[H])CC(SC)SC)(CC)[H])[H])(C(=O)OC)[H])c2c(c1)cccc2
SPLASH splash10-004i-0009000000-389b42afa166c7c1aefe
Source of Spectrum F-52-8608-11
Synonyms methyl (1S,12S,13S,14S)-16-[2,2-bis(methylsulfanyl)ethyl]-14-ethyl-10,16-diazatetracyclo[11.3.1.0(2,10).0(4,9)]heptadeca-2,4,6,8-tetraene-12-carboxylate
Wiley ID 797209