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2-methyl-4-(2,3-dinitro-4,5-dimethoxyphenyl)-thiazole
SpectraBase Compound ID LK8PVwjbgcI
InChI InChI=1S/C12H11N3O6S/c1-6-13-8(5-22-6)7-4-9(20-2)12(21-3)11(15(18)19)10(7)14(16)17/h4-5H,1-3H3
InChIKey YCZAVTWGEFWDMN-UHFFFAOYSA-N
Mol Weight 325.3 g/mol
Molecular Formula C12H11N3O6S
Exact Mass 325.036856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zlCDFAa80
Name 2-methyl-4-(2,3-dinitro-4,5-dimethoxyphenyl)-thiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O6S
InChI InChI=1S/C12H11N3O6S/c1-6-13-8(5-22-6)7-4-9(20-2)12(21-3)11(15(18)19)10(7)14(16)17/h4-5H,1-3H3
InChIKey YCZAVTWGEFWDMN-UHFFFAOYSA-N
Instrument Name JEOL JMS-SX 102 A or Finnigan Mat GCQ
Ionization Type EI
Literature Reference DOI 10.1002_1097-0231(20000630)14_12_1077
Molecular Weight 325.295 g/mol
SMILES c1(c(c(c(cc1-c1csc(n1)C)OC)OC)[N+](=O)[O-])[N+]([O-])=O
SPLASH splash10-0ar0-9076000000-73a80a4f3bacda372e2e
Source of Spectrum RCM-14-1077-8
Wiley ID 1836265