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6-(3-butynyloxy)-4,5-cyclopenteno-3-(methylsulfonyl)-1,2-diazine
SpectraBase Compound ID Au2TlX5uwNW
InChI InChI=1S/C12H14N2O3S/c1-3-4-8-17-11-9-6-5-7-10(9)12(14-13-11)18(2,15)16/h1H,4-8H2,2H3
InChIKey CFDRHHMXSPZZOH-UHFFFAOYSA-N
Mol Weight 266.31 g/mol
Molecular Formula C12H14N2O3S
Exact Mass 266.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36V0FEm2Hkf
Name 6-(3-butynyloxy)-4,5-cyclopenteno-3-(methylsulfonyl)-1,2-diazine
CAS Registry Number 112740-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O3S
InChI InChI=1S/C12H14N2O3S/c1-3-4-8-17-11-9-6-5-7-10(9)12(14-13-11)18(2,15)16/h1H,4-8H2,2H3
InChIKey CFDRHHMXSPZZOH-UHFFFAOYSA-N
Molecular Weight 266.315 g/mol
SMILES c1(S(=O)(=O)C)nnc(c2c1CCC2)OCCC#C
SPLASH splash10-001i-9100000000-5eef3c62dbc32b2afb28
Source of Spectrum J-53-1422-17
Synonyms 1-(3-butynyloxy)-4-(methylsulfonyl)-6,7-dihydro-5H-cyclopenta[d]pyridazine 4-(3-butynyloxy)-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl methyl sulfone
Wiley ID 1269571