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3-( 1',1',1',3',3'-Pentafluoro-2'-hydroxypropan-2'-yl)-2-( n-pentanoyl)thiophene
SpectraBase Compound ID GIY18UyvTOQ
InChI InChI=1S/C12H13F5O2S/c1-2-3-4-8(18)9-7(5-6-20-9)11(19,10(13)14)12(15,16)17/h5-6,10,19H,2-4H2,1H3
InChIKey SBWLOOZSYFGVGD-UHFFFAOYSA-N
Mol Weight 316.29 g/mol
Molecular Formula C12H13F5O2S
Exact Mass 316.055642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3E8VcUnDiWF
Name 3-( 1',1',1',3',3'-Pentafluoro-2'-hydroxypropan-2'-yl)-2-( n-pentanoyl)thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F5O2S
InChI InChI=1S/C12H13F5O2S/c1-2-3-4-8(18)9-7(5-6-20-9)11(19,10(13)14)12(15,16)17/h5-6,10,19H,2-4H2,1H3
InChIKey SBWLOOZSYFGVGD-UHFFFAOYSA-N
Molecular Weight 316.286 g/mol
SMILES OC(c1c(scc1)C(=O)CCCC)(C(F)(F)F)C(F)F
SPLASH splash10-0bt9-0290000000-a859e146f9cd071ef3da
Source of Spectrum SB-47-321-19
Synonyms 1-{3-[1-(difluoromethyl)-2,2,2-trifluoro-1-hydroxyethyl]-2-thienyl}-1-pentanone
Wiley ID 1316322