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5-(5-Butyl-2-thienyl)pentanoic acid
SpectraBase Compound ID I2faymc99d6
InChI InChI=1S/C13H20O2S/c1-2-3-6-11-9-10-12(16-11)7-4-5-8-13(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKey YZSVQKWPAFAIQG-UHFFFAOYSA-N
Mol Weight 240.36 g/mol
Molecular Formula C13H20O2S
Exact Mass 240.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMumxgjO9Ee
Name 5-(5-Butyl-2-thienyl)pentanoic acid
Alternate Name(s) 5-(5-butyl-2-thienyl)valeric acid 5-(5-butyl-2-thiophenyl)pentanoic acid 5-(5-butylthiophen-2-yl)pentanoic acid Pentanoic acid, 5-(5-butyl-2-thienyl)-
CAS Registry Number 27383-03-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2S
InChI InChI=1S/C13H20O2S/c1-2-3-6-11-9-10-12(16-11)7-4-5-8-13(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKey YZSVQKWPAFAIQG-UHFFFAOYSA-N
Molecular Weight 240.361 g/mol
SMILES OC(CCCCc1sc(cc1)CCCC)=O
SPLASH splash10-0udj-5900000000-e873cd9b4eb3d0c0d632
Source of Spectrum AD-0-2532-0
Wiley ID 1423522