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

*Links on SpectraBase are not permalinks.
3-Ethoxycarbonyl-4-thia-4,4-dioxo-5-pentyl-tetracyclo[5.2.1(1,7).0(2,6)]deca-8-ene
SpectraBase Compound ID INBxM0YAzM8
InChI InChI=1S/C17H26O4S/c1-3-5-6-7-13-14-11-8-9-12(10-11)15(14)16(22(13,19)20)17(18)21-4-2/h8-9,11-16H,3-7,10H2,1-2H3/t11-,12-,13?,14-,15+,16?/m0/s1
InChIKey MDVMMPOSMFZQNJ-UCOZEVKMSA-N
Mol Weight 326.45 g/mol
Molecular Formula C17H26O4S
Exact Mass 326.15518 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 4q4NC7wX8mp
Name 3-Ethoxycarbonyl-4-thia-4,4-dioxo-5-pentyl-tetracyclo[5.2.1(1,7).0(2,6)]deca-8-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O4S
InChI InChI=1S/C17H26O4S/c1-3-5-6-7-13-14-11-8-9-12(10-11)15(14)16(22(13,19)20)17(18)21-4-2/h8-9,11-16H,3-7,10H2,1-2H3/t11-,12-,13?,14-,15+,16?/m0/s1
InChIKey MDVMMPOSMFZQNJ-UCOZEVKMSA-N
Molecular Weight 326.451 g/mol
SMILES C1(S(C([C@@]2([C@]3(C=C[C@]([C@@]12[H])(C3)[H])[H])[H])CCCCC)(=O)=O)C(=O)OCC
SPLASH splash10-014i-9320000000-827b855d63bbf6be1d45
Source of Spectrum F-42-4879-2
Synonyms Ethyl 5-pentyl-4-thiatricyclo[5.2.1.0(2,6)]dec-8-ene-3-carboxylate 4,4-dioxide
Wiley ID 1324660