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Phenylthioacetic acid, S-(3-mercaptopropyl) ester

View entire compound with spectra: 2 MS (GC)

Phenylthioacetic acid, S-(3-mercaptopropyl) ester
SpectraBase Compound ID 1gNALJwRXmo
InChI InChI=1S/C11H14OS2/c12-11(14-8-4-7-13)9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2
InChIKey RTPGQDDCOMYNHT-UHFFFAOYSA-N
Mol Weight 226.35 g/mol
Molecular Formula C11H14OS2
Exact Mass 226.048607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRupX9QekPS
Name Phenylthioacetic acid, S-(3-mercaptopropyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14OS2
InChI InChI=1S/C11H14OS2/c12-11(14-8-4-7-13)9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2
InChIKey RTPGQDDCOMYNHT-UHFFFAOYSA-N
Molecular Weight 226.352 g/mol
SMILES SCCCSC(Cc1ccccc1)=O
SPLASH splash10-0006-9300000000-afa0c0c1b14a03eeb971
Synonyms 2-Phenylethanethioic acid S-(3-mercaptopropyl) ester S-(3-sulfanylpropyl) 2-phenylethanethioate S-(3-Sulfanylpropyl) phenylethanethioate
Wiley ID 1488207