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5-(Benzoylthio)pentanoic acid
SpectraBase Compound ID DggT11lBQ1d
InChI InChI=1S/C12H14O3S/c13-11(14)8-4-5-9-16-12(15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
InChIKey ZYQTXZWVMZZFKI-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66IKNgKcDjA
Name 5-(Benzoylthio)pentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c13-11(14)8-4-5-9-16-12(15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
InChIKey ZYQTXZWVMZZFKI-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES OC(CCCCSC(=O)c1ccccc1)=O
SPLASH splash10-0ar0-4930000000-810105108920129e1342
Source of Spectrum KC-0-1515-20
Synonyms 5-(benzoylthio)valeric acid 5-(Phenylcarbonylsulfanyl)pentanoic acid
Wiley ID 821492