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2-Methyl-5-nitrophenyl isocyanate

View entire compound with spectra: 1 FTIR, 1 Raman, and 1 MS (GC)

2-Methyl-5-nitrophenyl isocyanate
SpectraBase Compound ID EkszbSKlOUy
InChI InChI=1S/C8H6N2O3/c1-6-2-3-7(10(12)13)4-8(6)9-5-11/h2-4H,1H3
InChIKey PQFOUIMVTGBFRN-UHFFFAOYSA-N
Mol Weight 178.15 g/mol
Molecular Formula C8H6N2O3
Exact Mass 178.037842 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID ATlK4UtfS4v
Name 2-Methyl-5-nitrophenyl isocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L10850
Lot Number 10109717
CAS Registry Number 13471-68-6
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2O3
InChI InChI=1S/C8H6N2O3/c1-6-2-3-7(10(12)13)4-8(6)9-5-11/h2-4H,1H3
InChIKey PQFOUIMVTGBFRN-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Purity 97%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)