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6-[(3-butynyl)amino]-4,5-cyclopenteno-3-(methylsulfonyl)-1,2-diazine
SpectraBase Compound ID 8z9x3RMvMHy
InChI InChI=1S/C12H15N3O2S/c1-3-4-8-13-11-9-6-5-7-10(9)12(15-14-11)18(2,16)17/h1H,4-8H2,2H3,(H,13,14)
InChIKey NZENVTFNQHOQNM-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C12H15N3O2S
Exact Mass 265.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAYRV7tLMlq
Name 6-[(3-butynyl)amino]-4,5-cyclopenteno-3-(methylsulfonyl)-1,2-diazine
CAS Registry Number 112740-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2S
InChI InChI=1S/C12H15N3O2S/c1-3-4-8-13-11-9-6-5-7-10(9)12(15-14-11)18(2,16)17/h1H,4-8H2,2H3,(H,13,14)
InChIKey NZENVTFNQHOQNM-UHFFFAOYSA-N
Molecular Weight 265.331 g/mol
SMILES N(c1c2c(c(S(=O)(=O)C)nn1)CCC2)CCC#C
SPLASH splash10-014i-2690000000-7dd55668f4d50f3ab2c0
Source of Spectrum J-53-1422-16
Synonyms N-(3-butynyl)-4-(methylsulfonyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine N-(3-butynyl)-N-[4-(methylsulfonyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]amine
Wiley ID 1268783