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2-[4,5-Bis(pentylthio)-1,3-thiole-2-ylidene]-N-tosyl-[1,3]-dithiolo[4,5-c]pyrrole

View entire compound with spectra: 1 MS (GC)

2-[4,5-Bis(pentylthio)-1,3-thiole-2-ylidene]-N-tosyl-[1,3]-dithiolo[4,5-c]pyrrole
SpectraBase Compound ID HF0qjNeHoaF
InChI InChI=1S/C25H31NO2S7/c1-4-6-8-14-29-22-23(30-15-9-7-5-2)34-25(33-22)24-31-20-16-26(17-21(20)32-24)35(27,28)19-12-10-18(3)11-13-19/h10-13,16-17H,4-9,14-15H2,1-3H3
InChIKey RGSKBIZXAGODTM-UHFFFAOYSA-N
Mol Weight 601.9 g/mol
Molecular Formula C25H31NO2S7
Exact Mass 601.039977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3awD1ORPKOO
Name 2-[4,5-Bis(pentylthio)-1,3-thiole-2-ylidene]-N-tosyl-[1,3]-dithiolo[4,5-c]pyrrole
Alternate Name(s) 2-[4,5-bis(pentylthio)-1,3-dithiol-2-ylidene]-5-(4-methylphenyl)sulfonyl-[1,3]dithiolo[4,5-c]pyrrole 2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-5-(p-tolylsulfonyl)-[1,3]dithiolo[4,5-c]pyrrole 2-[4,5-bis(pentylsulfanyl)-1,3-dithiol-2-ylidene]-5-(4-methylphenyl)sulfonyl-[1,3]dithiolo[4,5-c]pyrrole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO2S7
InChI InChI=1S/C25H31NO2S7/c1-4-6-8-14-29-22-23(30-15-9-7-5-2)34-25(33-22)24-31-20-16-26(17-21(20)32-24)35(27,28)19-12-10-18(3)11-13-19/h10-13,16-17H,4-9,14-15H2,1-3H3
InChIKey RGSKBIZXAGODTM-UHFFFAOYSA-N
Molecular Weight 601.948 g/mol
SMILES c1[n](S(c2ccc(cc2)C)(=O)=O)cc2SC(Sc12)=C1SC(SCCCCC)=C(S1)SCCCCC
SPLASH splash10-0udj-0000509000-0f8f35342ffbff705cbe
Source of Spectrum J-65-5801-22
Wiley ID 1533175