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2,5-Dimethyl-3,4-dithiocyanato-1-pyrrolecarboxylic acid tert-butyl ester
SpectraBase Compound ID 7OtDQbQpe1O
InChI InChI=1S/C13H15N3O2S2/c1-8-10(19-6-14)11(20-7-15)9(2)16(8)12(17)18-13(3,4)5/h1-5H3
InChIKey NYUWEKMHDWDZAC-UHFFFAOYSA-N
Mol Weight 309.4 g/mol
Molecular Formula C13H15N3O2S2
Exact Mass 309.060569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJjeajuzpN2
Name 2,5-Dimethyl-3,4-dithiocyanato-1-pyrrolecarboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O2S2
InChI InChI=1S/C13H15N3O2S2/c1-8-10(19-6-14)11(20-7-15)9(2)16(8)12(17)18-13(3,4)5/h1-5H3
InChIKey NYUWEKMHDWDZAC-UHFFFAOYSA-N
Molecular Weight 309.402 g/mol
SMILES c1([n](c(c(c1SC#N)SC#N)C)C(OC(C)(C)C)=O)C
SPLASH splash10-0a4i-1291000000-2d77ecbd0d0f2e2158be
Source of Spectrum J-61-8121-13
Synonyms 2,5-Dimethyl-3,4-dithiocyanato-pyrrole-1-carboxylic acid tert-butyl ester tert-Butyl 2,5-dimethyl-3,4-dithiocyanato-pyrrole-1-carboxylate
Wiley ID 1310482