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o-{[3,5-dimethoxy-alpha-(nitromethyl)benzyl]thio}aniline

View entire compound with spectra: 3 NMR, and 1 FTIR

o-{[3,5-dimethoxy-alpha-(nitromethyl)benzyl]thio}aniline
SpectraBase Compound ID AVt5xNng6hY
InChI InChI=1S/C16H18N2O4S/c1-21-12-7-11(8-13(9-12)22-2)16(10-18(19)20)23-15-6-4-3-5-14(15)17/h3-9,16H,10,17H2,1-2H3
InChIKey BXZSJLYRQWPWJX-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C16H18N2O4S
Exact Mass 334.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35KktxeXMBU
Name o-{[3,5-DIMETHOXY-alpha-(NITROMETHYL)BENZYL]THIO}ANILINE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4S
InChI InChI=1S/C16H18N2O4S/c1-21-12-7-11(8-13(9-12)22-2)16(10-18(19)20)23-15-6-4-3-5-14(15)17/h3-9,16H,10,17H2,1-2H3
InChIKey BXZSJLYRQWPWJX-UHFFFAOYSA-N
Melting Point 101C
Molecular Weight 334.40
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ANILINE, o-{[3,5-DIMETHOXY-alpha-(NITROMETHYL)BENZYL]THIO}-,