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1-Thia-4-azaspiro[4.5]dec-3-en-2-one, 3-[(2,4-dinitrophenyl)thio]-
SpectraBase Compound ID Ec7hZZEvjuj
InChI InChI=1S/C14H13N3O5S2/c18-13-12(15-14(24-13)6-2-1-3-7-14)23-11-5-4-9(16(19)20)8-10(11)17(21)22/h4-5,8H,1-3,6-7H2
InChIKey RMAHAYRVWMTPKF-UHFFFAOYSA-N
Mol Weight 367.39 g/mol
Molecular Formula C14H13N3O5S2
Exact Mass 367.029663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NUFYg9Wt3K
Name 1-Thia-4-azaspiro[4.5]dec-3-en-2-one, 3-[(2,4-dinitrophenyl)thio]-
Alternate Name(s) 3-[(2,4-dinitrophenyl)sulfanyl]-1-thia-4-azaspiro[4.5]dec-3-en-2-one Cyclohexanespiro-2'-[4'-(2,4-dinitrophenylthio)-1',3'-thiazole-5'(2'H)-one]
CAS Registry Number 113270-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N3O5S2
InChI InChI=1S/C14H13N3O5S2/c18-13-12(15-14(24-13)6-2-1-3-7-14)23-11-5-4-9(16(19)20)8-10(11)17(21)22/h4-5,8H,1-3,6-7H2
InChIKey RMAHAYRVWMTPKF-UHFFFAOYSA-N
Molecular Weight 367.394 g/mol
SMILES C1(=NC2(SC1=O)CCCCC2)Sc1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-001i-9200000000-78c33f027c1414e20dcf
Source of Spectrum H-70-1386-3
Wiley ID 1352410