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1-tert-Butyl-3,5-dimethyl-2,4,6-trinitro-benzene

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 13 MS (GC)

1-tert-Butyl-3,5-dimethyl-2,4,6-trinitro-benzene
SpectraBase Compound ID J2hlYSR42si
InChI InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChIKey XMWRWTSZNLOZFN-UHFFFAOYSA-N
Mol Weight 297.27 g/mol
Molecular Formula C12H15N3O6
Exact Mass 297.096085 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID AlLTcgXQYSx
Name 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
Source of Sample Sigma-Aldrich Library. Rare Chemicals
Catalog Number S34297-1
Accessory DurasamplIR II
CAS Registry Number 81-15-2
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O6
InChI InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChIKey XMWRWTSZNLOZFN-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat (DuraSamplIR II)