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1-cyclopropyl-2-(p-tolylsulfonyl)ethyne
SpectraBase Compound ID J1qmbIcupea
InChI InChI=1S/C12H12O2S/c1-10-2-6-12(7-3-10)15(13,14)9-8-11-4-5-11/h2-3,6-7,11H,4-5H2,1H3
InChIKey HDDWLCVKYZSHDC-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69ftLECJgja
Name 1-cyclopropyl-2-(p-tolylsulfonyl)ethyne
Alternate Name(s) 1-[(cyclopropylethynyl)sulfonyl]-4-methylbenzene cyclopropylethynyl 4-methylphenyl sulfone
CAS Registry Number 117734-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-10-2-6-12(7-3-10)15(13,14)9-8-11-4-5-11/h2-3,6-7,11H,4-5H2,1H3
InChIKey HDDWLCVKYZSHDC-UHFFFAOYSA-N
Molecular Weight 220.286 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)#CC1CC1
SPLASH splash10-007c-4950000000-d9bb4f036d994d6a8dae
Source of Spectrum J-54-125-17
Wiley ID 1219632