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2,7-Dimethyl-3-(methylsulfanyl)-2,6-dihydro-5H-1,2,4-triazepin-5-one
SpectraBase Compound ID 8RIUScXKumq
InChI InChI=1S/C7H11N3OS/c1-5-4-6(11)8-7(12-3)10(2)9-5/h4H2,1-3H3
InChIKey NLXXFNMQKGWDPS-UHFFFAOYSA-N
Mol Weight 185.24 g/mol
Molecular Formula C7H11N3OS
Exact Mass 185.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1QaQUmUAJM
Name 2,7-Dimethyl-3-(methylsulfanyl)-2,6-dihydro-5H-1,2,4-triazepin-5-one
CAS Registry Number 66425-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11N3OS
InChI InChI=1S/C7H11N3OS/c1-5-4-6(11)8-7(12-3)10(2)9-5/h4H2,1-3H3
InChIKey NLXXFNMQKGWDPS-UHFFFAOYSA-N
Molecular Weight 185.245 g/mol
SMILES C1(N=C(N(N=C(C1)C)C)SC)=O
SPLASH splash10-001c-9600000000-c7b51f9883e05a201846
Source of Spectrum O-13-359-1
Synonyms 2,7-Dimethyl-3-(methylthio)-6H-1,2,4-triazepin-5-one 2,7-Dimethyl-3-methylsulfanyl-6H-1,2,4-triazepin-5-one 2,7-Dimethyl-3-methylthio-5-oxo-5,6(2H)-dihydro-1,2,4-triazepine 2,7-Dimethyl-5(6H)-oxo-3-methylthio-2H-1,2,4-triazepine
Wiley ID 1181698