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3-Phenyl-5-(propylthio)isoxazole

View entire compound with spectra: 1 MS (GC)

3-Phenyl-5-(propylthio)isoxazole
SpectraBase Compound ID 2RyGkFmq4LD
InChI InChI=1S/C12H13NOS/c1-2-8-15-12-9-11(13-14-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKey LLMZMKPUNYQVOC-UHFFFAOYSA-N
Mol Weight 219.3 g/mol
Molecular Formula C12H13NOS
Exact Mass 219.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjhFECEn5i3
Name 3-Phenyl-5-(propylthio)isoxazole
Alternate Name(s) 3-Phenyl-5-propylsulfanyl-1,2-oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NOS
InChI InChI=1S/C12H13NOS/c1-2-8-15-12-9-11(13-14-12)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKey LLMZMKPUNYQVOC-UHFFFAOYSA-N
Molecular Weight 219.302 g/mol
SMILES c1(noc(c1)SCCC)-c1ccccc1
SPLASH splash10-00kf-0930000000-be1c0701e58318934c82
Source of Spectrum SO-0-21-3
Wiley ID 1540435