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2-(p-nitrophenyl)-1,3-dithiolane
SpectraBase Compound ID F07Mq3iCUXs
InChI InChI=1S/C9H9NO2S2/c11-10(12)8-3-1-7(2-4-8)9-13-5-6-14-9/h1-4,9H,5-6H2
InChIKey BNKRXKGMJHJTHQ-UHFFFAOYSA-N
Mol Weight 227.3 g/mol
Molecular Formula C9H9NO2S2
Exact Mass 227.007471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfDv1xDvmTy
Name 2-(p-nitrophenyl)-1,3-dithiolane
Alternate Name(s) 1,3-Dithiolane, 2-(p-nitrophenyl)- 2-(4-Nitrophenyl)-1,3-dithiolane BRN 4186682
CAS Registry Number 41159-02-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO2S2
InChI InChI=1S/C9H9NO2S2/c11-10(12)8-3-1-7(2-4-8)9-13-5-6-14-9/h1-4,9H,5-6H2
InChIKey BNKRXKGMJHJTHQ-UHFFFAOYSA-N
Molecular Weight 227.296 g/mol
SMILES C1(SCCS1)c1ccc(cc1)N(=O)=O
SPLASH splash10-0059-2930000000-1b731c9693d5b301350b
Source of Spectrum KC-0-967-22
Wiley ID 824567