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Pentanoic acid, 5-[5-(2-methylpropyl)-2-thienyl]-5-oxo-
SpectraBase Compound ID DERHngOqj1p
InChI InChI=1S/C13H18O3S/c1-9(2)8-10-6-7-12(17-10)11(14)4-3-5-13(15)16/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKey XVIOYIXBSUJDBK-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JyaTeMWbve
Name Pentanoic acid, 5-[5-(2-methylpropyl)-2-thienyl]-5-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-9(2)8-10-6-7-12(17-10)11(14)4-3-5-13(15)16/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKey XVIOYIXBSUJDBK-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES OC(CCCC(c1sc(cc1)CC(C)C)=O)=O
SPLASH splash10-014l-7910000000-39fa48f5c79cb11b4630
Source of Spectrum AD-0-2532-0
Synonyms 5-(5-isobutyl-2-thienyl)-5-keto-valeric acid 5-(5-isobutyl-2-thienyl)-5-oxo-pentanoic acid 5-[5-(2-methylpropyl)-2-thiophenyl]-5-oxopentanoic acid 5-[5-(2-methylpropyl)thiophen-2-yl]-5-oxidanylidene-pentanoic acid 5-[5-(2-methylpropyl)thiophen-2-yl]-5-oxopentanoic acid
Wiley ID 1424702