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7-methyl-2,5-bis(methylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 1DvZ4JY92bh
InChI InChI=1S/C15H15N3S2/c1-10-9-12(19-2)16-14-13(11-7-5-4-6-8-11)15(20-3)17-18(10)14/h4-9H,1-3H3
InChIKey QMCBGDWIOUCPDH-UHFFFAOYSA-N
Mol Weight 301.43 g/mol
Molecular Formula C15H15N3S2
Exact Mass 301.07074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyVwHA5Xo6l
Name 7-methyl-2,5-bis(methylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
Alternate Name(s) 7-methyl-2,5-bis(methylthio)-3-phenyl-pyrazolo[1,5-a]pyrimidine 7-methyl-2,5-bis(methylthio)-3-phenylpyrazolo[1,5-a]pyrimidine
CAS Registry Number 128039-37-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N3S2
InChI InChI=1S/C15H15N3S2/c1-10-9-12(19-2)16-14-13(11-7-5-4-6-8-11)15(20-3)17-18(10)14/h4-9H,1-3H3
InChIKey QMCBGDWIOUCPDH-UHFFFAOYSA-N
Molecular Weight 301.426 g/mol
SMILES c12[n](nc(c2-c2ccccc2)SC)C(C)=CC(=N1)SC
SPLASH splash10-0udi-0049000000-c37fffe4b0443a6f4932
Source of Spectrum F-46-583-3
Wiley ID 1303737