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bis[2-Carbomethoxy-4-nitrophenyl]sulfide
SpectraBase Compound ID ENQHsn9k5IL
InChI InChI=1S/C16H12N2O8S/c1-25-15(19)11-7-9(17(21)22)3-5-13(11)27-14-6-4-10(18(23)24)8-12(14)16(20)26-2/h3-8H,1-2H3
InChIKey MYDNAPSDMMQASO-UHFFFAOYSA-N
Mol Weight 392.34 g/mol
Molecular Formula C16H12N2O8S
Exact Mass 392.031437 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Avh9J5oM3aD
Name bis[2-Carbomethoxy-4-nitrophenyl]sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.031436520 u
Formula C16H12N2O8S
InChI InChI=1S/C16H12N2O8S/c1-25-15(19)11-7-9(17(21)22)3-5-13(11)27-14-6-4-10(18(23)24)8-12(14)16(20)26-2/h3-8H,1-2H3
InChIKey MYDNAPSDMMQASO-UHFFFAOYSA-N
Molecular Weight 392.338 g/mol
SMILES C1=C(C(C(=O)OC)=CC(=C1)N(=O)=O)SC1=CC=C(N(=O)=O)C=C1C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823152