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3-Pentanone, 2-(2-thienyl)-
SpectraBase Compound ID 5qNdGrBkRkf
InChI InChI=1S/C9H12OS/c1-3-8(10)7(2)9-5-4-6-11-9/h4-7H,3H2,1-2H3
InChIKey SXJFCAFFGQCNLZ-UHFFFAOYSA-N
Mol Weight 168.25 g/mol
Molecular Formula C9H12OS
Exact Mass 168.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP2JSTd73qp
Name 3-Pentanone, 2-(2-thienyl)-
CAS Registry Number 42768-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12OS
InChI InChI=1S/C9H12OS/c1-3-8(10)7(2)9-5-4-6-11-9/h4-7H,3H2,1-2H3
InChIKey SXJFCAFFGQCNLZ-UHFFFAOYSA-N
Molecular Weight 168.254 g/mol
SMILES c1(C(C(=O)CC)C)sccc1
SPLASH splash10-03di-0900000000-1280bacc6dbbc1a1b3f3
Source of Spectrum F-35-336-0
Synonyms 2-(2-Thienyl)-3-pentanone 2-Thiophen-2-yl-3-pentanone 2-Thiophen-2-ylpentan-3-one
Wiley ID 1164243