5-Methyl-2-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-3,1-benzoxazin-4-one

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Systematic / IUPAC Name: 5-Methyl-2-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-3,1-benzoxazin-4-one

ID: Reference3695

Other Names: 4H-3,1-Benzoxazin-4-one, 5-methyl-2-(4-methyl-1,2,3-thiadiazol-5-yl)-

Formula: C12H9N3O2S

Spectral Data

5-Methyl-2-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-3,1-benzoxazin-4-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/4/2016 9:13:50 AM
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Identificators

InChI InChI=1S/C12H9N3O2S/c1-6-4-3-5-8-9(6)12(16)17-11(13-8)10-7(2)14-15-18-10/h3-5H,1-2H3
InChI Key DKJCPYXTPONLOO-UHFFFAOYSA-N
Canonical SMILES CC1=C2C(=CC=C1)N=C(OC2=O)C3=C(N=NS3)C
CAS
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Other Names 4H-3,1-Benzoxazin-4-one, 5-methyl-2-(4-methyl-1,2,3-thiadiazol-5-yl)-

In Other Databases

ChemSpider 2090924
PubChem 2812520