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4-Hydroxy-5-(phenylthio)-2-pentenoic acid
SpectraBase Compound ID 3uoWZgT113g
InChI InChI=1S/C11H12O3S/c12-9(6-7-11(13)14)8-15-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,13,14)/b7-6+
InChIKey NFOPRQVGBLNNII-VOTSOKGWSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lwWVUFJaoe
Name 4-Hydroxy-5-(phenylthio)-2-pentenoic acid
Alternate Name(s) (2E)-4-hydroxy-5-(phenylsulfanyl)-2-pentenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c12-9(6-7-11(13)14)8-15-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,13,14)/b7-6+
InChIKey NFOPRQVGBLNNII-VOTSOKGWSA-N
Molecular Weight 224.274 g/mol
SMILES OC(\C=C\C(=O)O)CSc1ccccc1
SPLASH splash10-00di-0900000000-f69b355988895fd42da5
Source of Spectrum Y4-86-667-12
Wiley ID 1550246