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3-[(1'-Propylbutyl)carbonyl]thiophene

View entire compound with spectra: 1 MS (GC)

3-[(1'-Propylbutyl)carbonyl]thiophene
SpectraBase Compound ID 4ol3gAKg0uO
InChI InChI=1S/C12H18OS/c1-3-5-10(6-4-2)12(13)11-7-8-14-9-11/h7-10H,3-6H2,1-2H3
InChIKey DCSKEJPWZPUWDA-UHFFFAOYSA-N
Mol Weight 210.33 g/mol
Molecular Formula C12H18OS
Exact Mass 210.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoOGICdno2Q
Name 3-[(1'-Propylbutyl)carbonyl]thiophene
Alternate Name(s) 2-Propyl-1-(3-thienyl)-1-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18OS
InChI InChI=1S/C12H18OS/c1-3-5-10(6-4-2)12(13)11-7-8-14-9-11/h7-10H,3-6H2,1-2H3
InChIKey DCSKEJPWZPUWDA-UHFFFAOYSA-N
Molecular Weight 210.335 g/mol
SMILES c1(C(=O)C(CCC)CCC)cscc1
SPLASH splash10-03di-2900000000-b379aba47f94d5ecad95
Source of Spectrum SK-20-2745-3
Wiley ID 851664