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Methyl 4-[(phenylthio)acetoxy]but-2(E)-enoate

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Methyl 4-[(phenylthio)acetoxy]but-2(E)-enoate
SpectraBase Compound ID FUMC6kV5l2q
InChI InChI=1S/C13H14O4S/c1-16-11(14)7-9-8-17-13(15)12(9)18-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/t9-,12+/m1/s1
InChIKey BYQAIBFKIUGOSP-SKDRFNHKSA-N
Mol Weight 266.31 g/mol
Molecular Formula C13H14O4S
Exact Mass 266.06128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ky9D5VDqSue
Name Methyl 4-[(phenylthio)acetoxy]but-2(E)-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.061280101 u
Formula C13H14O4S
InChI InChI=1S/C13H14O4S/c1-16-11(14)7-9-8-17-13(15)12(9)18-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/t9-,12+/m1/s1
InChIKey BYQAIBFKIUGOSP-SKDRFNHKSA-N
SMILES [C@@]1(C(OC[C@]1(CC(=O)OC)[H])=O)(SC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97391