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5-Hydroxy-4-(phenylthio)-2-pentenoic acid

View entire compound with spectra: 2 MS (GC)

5-Hydroxy-4-(phenylthio)-2-pentenoic acid
SpectraBase Compound ID HOuxHvRW18A
InChI InChI=1S/C11H12O3S/c12-8-10(6-7-11(13)14)15-9-4-2-1-3-5-9/h1-7,10,12H,8H2,(H,13,14)/b7-6+
InChIKey UJKYHSGYFMZRJB-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 cVw1fKvRN7
Name 5-Hydroxy-4-(phenylthio)-2-pentenoic acid
Alternate Name(s) (2E)-5-hydroxy-4-(phenylsulfanyl)-2-pentenoic acid 5-Hydroxy-4-(phenyltho)-2-pentenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c12-8-10(6-7-11(13)14)15-9-4-2-1-3-5-9/h1-7,10,12H,8H2,(H,13,14)/b7-6+
InChIKey UJKYHSGYFMZRJB-VOTSOKGWSA-N
Molecular Weight 224.274 g/mol
SMILES OCC(\C=C\C(=O)O)Sc1ccccc1
SPLASH splash10-06r2-1910000000-5f6780a4020f6ddb4045
Source of Spectrum Y4-86-667-28
Wiley ID 840422