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2-[(Methylthio)methyl]-4-nitroaniline
SpectraBase Compound ID 8nY2tem3KIL
InChI InChI=1S/C8H10N2O2S/c1-13-5-6-4-7(10(11)12)2-3-8(6)9/h2-4H,5,9H2,1H3
InChIKey HCRSXTSGSLECNB-UHFFFAOYSA-N
Mol Weight 198.24 g/mol
Molecular Formula C8H10N2O2S
Exact Mass 198.046299 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HvF09jHkl3m
Name 2-[(Methylthio)methyl]-4-nitroaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.046298742 u
Formula C8H10N2O2S
InChI InChI=1S/C8H10N2O2S/c1-13-5-6-4-7(10(11)12)2-3-8(6)9/h2-4H,5,9H2,1H3
InChIKey HCRSXTSGSLECNB-UHFFFAOYSA-N
Molecular Weight 198.240 g/mol
SMILES C=1(N)C(=CC(=CC1)[N+]([O-])=O)CSC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94115