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3-[2-(propionylamino)phenylthio]-[ethyl-(3-phenyl)propanoate]
SpectraBase Compound ID HZL9greDUYV
InChI InChI=1S/C20H23NO3S/c1-3-19(22)21-16-12-8-9-13-17(16)25-18(14-20(23)24-4-2)15-10-6-5-7-11-15/h5-13,18H,3-4,14H2,1-2H3,(H,21,22)
InChIKey QDSZYZFQCKMMHS-UHFFFAOYSA-N
Mol Weight 357.47 g/mol
Molecular Formula C20H23NO3S
Exact Mass 357.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pEtCziI9Yf
Name 3-[2-(propionylamino)phenylthio]-[ethyl-(3-phenyl)propanoate]
Alternate Name(s) 3-Phenyl-3-[2-(propionylamino)phenylthio]-[ethyl-(3-phenyl)propanoate] Ethyl 3-phenyl-3-{[2-(propionylamino)phenyl]sulfanyl}propanoate
CAS Registry Number 109532-99-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO3S
InChI InChI=1S/C20H23NO3S/c1-3-19(22)21-16-12-8-9-13-17(16)25-18(14-20(23)24-4-2)15-10-6-5-7-11-15/h5-13,18H,3-4,14H2,1-2H3,(H,21,22)
InChIKey QDSZYZFQCKMMHS-UHFFFAOYSA-N
Molecular Weight 357.468 g/mol
SMILES N(c1c(SC(CC(=O)OCC)c2ccccc2)cccc1)C(=O)CC
SPLASH splash10-0a7r-0902000000-4699ea9f16170c2a67e7
Source of Spectrum K-120-1744-6
Wiley ID 1346457