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5,8-Phosphinidene-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-2,6,7-trimethyl-10-phenyl-, 10-sulfide
SpectraBase Compound ID GRyhJ7IibeR
InChI InChI=1S/C15H16N3O2PS/c1-9-10(2)13-18-15(20)16(3)14(19)17(18)12(9)21(13,22)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3/t12-,13+,21?
InChIKey YKUMHWFWFHGRTH-YPHPFWRLSA-N
Mol Weight 333.35 g/mol
Molecular Formula C15H16N3O2PS
Exact Mass 333.070085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID f9qDoawl2I
Name 5,8-Phosphinidene-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-2,6,7-trimethyl-10-phenyl-, 10-sulfide
Alternate Name(s) 4,8,9-Trimethyl-10-phenyl-10-thio-2,4,6-triazia-10-phosphatricyclo[5.2.1.0(2,6)]dec-8-en-3,5-dione 4,8,9-trimethyl-10-phenyl-2,4,6-triaza-10-phosphatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione 10-sulfide
CAS Registry Number 62241-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N3O2PS
InChI InChI=1S/C15H16N3O2PS/c1-9-10(2)13-18-15(20)16(3)14(19)17(18)12(9)21(13,22)11-7-5-4-6-8-11/h4-8,12-13H,1-3H3/t12-,13+,21?
InChIKey YKUMHWFWFHGRTH-YPHPFWRLSA-N
Molecular Weight 333.346 g/mol
SMILES [C@@]12(N3N([C@@](P2(=S)c2ccccc2)(C(=C1C)C)[H])C(N(C3=O)C)=O)[H]
SPLASH splash10-08fu-7900000000-66df72f68f47a051fa0d
Source of Spectrum F-32-2430-0
Wiley ID 1330107