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3-(Phenylthio)acrylic acid

View entire compound with spectra: 2 MS (GC)

3-(Phenylthio)acrylic acid
SpectraBase Compound ID A6FOdmIVV1A
InChI InChI=1S/C9H8O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey QCLSYKCZWZYPIX-VOTSOKGWSA-N
Mol Weight 180.22 g/mol
Molecular Formula C9H8O2S
Exact Mass 180.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rzqEUguJs
Name 3-(Phenylthio)acrylic acid
Alternate Name(s) (2E)-3-(Phenylsulfanyl)-2-propenoic acid (E)-3-(phenylthio)-2-propenoic acid (E)-3-(phenylthio)acrylic acid (E)-3-phenylsulfanylprop-2-enoic acid 3-Phenylsulfanyl-acrylic acid
CAS Registry Number 706-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2S
InChI InChI=1S/C9H8O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey QCLSYKCZWZYPIX-VOTSOKGWSA-N
Molecular Weight 180.221 g/mol
SMILES OC(\C=C\Sc1ccccc1)=O
SPLASH splash10-001u-9600000000-f0e7760fcad35195a4ec
Wiley ID 1483045