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(5E)-5-[1-(Diethylcarbamoyl)ethyliden]-5,8-dihydro-8-methyl-1,3,4-thiadiazolo[3,2-a][1,3,5]triazin-4-ium-7-olate

View entire compound with spectra: 1 MS (GC)

(5E)-5-[1-(Diethylcarbamoyl)ethyliden]-5,8-dihydro-8-methyl-1,3,4-thiadiazolo[3,2-a][1,3,5]triazin-4-ium-7-olate
SpectraBase Compound ID DANGbPC9ZCg
InChI InChI=1S/C12H17N5O2S/c1-5-16(6-2)10(18)8(3)9-14-11(19)15(4)12-17(9)13-7-20-12/h7H,5-6H2,1-4H3
InChIKey AUPHJRWXWQTUOH-UHFFFAOYSA-N
Mol Weight 295.36 g/mol
Molecular Formula C12H17N5O2S
Exact Mass 295.110296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bPOZ96oRk
Name (5E)-5-[1-(Diethylcarbamoyl)ethyliden]-5,8-dihydro-8-methyl-1,3,4-thiadiazolo[3,2-a][1,3,5]triazin-4-ium-7-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N5O2S
InChI InChI=1S/C12H17N5O2S/c1-5-16(6-2)10(18)8(3)9-14-11(19)15(4)12-17(9)13-7-20-12/h7H,5-6H2,1-4H3
InChIKey AUPHJRWXWQTUOH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19881210908
Molecular Weight 295.361 g/mol
SMILES c12[n+](\C(N=C(N2C)[O-])=C/(C)C(N(CC)CC)=O)ncs1
SPLASH splash10-053u-8910000000-d97bc7bce7a0382a0568
Source of Spectrum K-121-1583-13a
Synonyms (E)-5-(1-(diethylamino)-1-oxopropan-2-ylidene)-8-methyl-5,8-dihydro-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-4-ium-7-olate
Wiley ID 1794561