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[(Phenylthio)carbonyl](4-methoxyphenyl)methyl acetate

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

[(Phenylthio)carbonyl](4-methoxyphenyl)methyl acetate
SpectraBase Compound ID 5QWfwmTcpi2
InChI InChI=1S/C17H16O4S/c1-12(18)21-16(13-8-10-14(20-2)11-9-13)17(19)22-15-6-4-3-5-7-15/h3-11,16H,1-2H3
InChIKey MRESLMPRIAXDQP-UHFFFAOYSA-N
Mol Weight 316.37 g/mol
Molecular Formula C17H16O4S
Exact Mass 316.07693 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5QKWjQ4t9cx
Name [(Phenylthio)carbonyl](4-methoxyphenyl)methyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.076930165 u
Formula C17H16O4S
InChI InChI=1S/C17H16O4S/c1-12(18)21-16(13-8-10-14(20-2)11-9-13)17(19)22-15-6-4-3-5-7-15/h3-11,16H,1-2H3
InChIKey MRESLMPRIAXDQP-UHFFFAOYSA-N
Molecular Weight 316.371 g/mol
SMILES C(C)(=O)OC(C=1C=CC(=CC1)OC)C(=O)SC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803647