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2,4-Dihydro-6,8-dinitro-1-oxo[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SpectraBase Compound ID I5HsGc4vjyQ
InChI InChI=1S/C9H5N5O6/c15-9-11-10-7-3-20-8-5(12(7)9)1-4(13(16)17)2-6(8)14(18)19/h1-2H,3H2,(H,11,15)
InChIKey CTBOHMYEWXRPAT-UHFFFAOYSA-N
Mol Weight 279.17 g/mol
Molecular Formula C9H5N5O6
Exact Mass 279.023983 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1wU0KF4OvUE
Name 2,4-Dihydro-6,8-dinitro-1-oxo[1,2,4]triazolo[3,4-c][1,4]benzoxazine
Source of Sample Indofine Chemical Company, Inc.
Catalog Number 19-314
Lot Number 0007171
Classification diuretic
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5N5O6
InChI InChI=1S/C9H5N5O6/c15-9-11-10-7-3-20-8-5(12(7)9)1-4(13(16)17)2-6(8)14(18)19/h1-2H,3H2,(H,11,15)
InChIKey CTBOHMYEWXRPAT-UHFFFAOYSA-N
Melting Point 259.0 - 261.0 °C
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Sadtler IR Number GN484
Sample Description pale yellow crystalline solid
Source of Spectrum Forensic Spectral Research
Technique FT-Raman