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3-Selenetanyl 3,5-dinitrobenzoate
SpectraBase Compound ID JLVue3HSIv6
InChI InChI=1S/C10H8N2O6Se/c13-10(18-9-4-19-5-9)6-1-7(11(14)15)3-8(2-6)12(16)17/h1-3,9H,4-5H2
InChIKey KYEUKHXEUYRNEY-UHFFFAOYSA-N
Mol Weight 331.15 g/mol
Molecular Formula C10H8N2O6Se
Exact Mass 331.954758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99f1nplzCkd
Name 3-Selenetanyl 3,5-dinitrobenzoate
CAS Registry Number 112422-92-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2O6Se
InChI InChI=1S/C10H8N2O6Se/c13-10(18-9-4-19-5-9)6-1-7(11(14)15)3-8(2-6)12(16)17/h1-3,9H,4-5H2
InChIKey KYEUKHXEUYRNEY-UHFFFAOYSA-N
Molecular Weight 331.154 g/mol
SMILES c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)OC1C[Se]C1
SPLASH splash10-00fs-3900000000-b561a1903cdf9ebd8b0f
Source of Spectrum J-53-794-0
Synonyms 3,5-Dinitrobenzoic acid 3-selenetanyl ester 3,5-Dinitrobenzoic acid selenetan-3-yl ester 3-(3,5-Dinitrobenzoyloxy)-selenetane selenetan-3-yl 3,5-dinitrobenzoate
Wiley ID 1328971