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2-[4-(Phenylsulfanyl)butyl]isoindoline-1,3-dione

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

2-[4-(Phenylsulfanyl)butyl]isoindoline-1,3-dione
SpectraBase Compound ID ICVbviJntuZ
InChI InChI=1S/C18H17NO2S/c20-17-15-10-4-5-11-16(15)18(21)19(17)12-6-7-13-22-14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKey QYBMHTPDAWABDZ-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C18H17NO2S
Exact Mass 311.098 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EUeb0Y4uoxP
Name 2-[4-(Phenylsulfanyl)butyl]isoindoline-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.097999963 u
Formula C18H17NO2S
InChI InChI=1S/C18H17NO2S/c20-17-15-10-4-5-11-16(15)18(21)19(17)12-6-7-13-22-14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKey QYBMHTPDAWABDZ-UHFFFAOYSA-N
Molecular Weight 311.399 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)CCCCSC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957406