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4-Mercaptobenzoic acid, S-(N-propyloxycarbonyl)-

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4-Mercaptobenzoic acid, S-(N-propyloxycarbonyl)-
SpectraBase Compound ID 4TroEEcYZe9
InChI InChI=1S/C11H12O4S/c1-2-7-15-11(14)16-9-5-3-8(4-6-9)10(12)13/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey CFGUGZKKAHRKBK-UHFFFAOYSA-N
Mol Weight 240.27 g/mol
Molecular Formula C11H12O4S
Exact Mass 240.04563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1FUksJX7nhz
Name 4-Mercaptobenzoic acid, S-(N-propyloxycarbonyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.045630036 u
Formula C11H12O4S
InChI InChI=1S/C11H12O4S/c1-2-7-15-11(14)16-9-5-3-8(4-6-9)10(12)13/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey CFGUGZKKAHRKBK-UHFFFAOYSA-N
Molecular Weight 240.273 g/mol
SMILES C1=CC(=CC=C1C(=O)O)SC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884464