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4-(benzyloxy)benz[cd]indole-2(1H)-tione

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

4-(benzyloxy)benz[cd]indole-2(1H)-tione
SpectraBase Compound ID 4QA9Hf4gTxs
InChI InChI=1S/C18H13NOS/c21-18-15-10-14(20-11-12-5-2-1-3-6-12)9-13-7-4-8-16(19-18)17(13)15/h1-10H,11H2,(H,19,21)
InChIKey OEKMFFFWQYQFLJ-UHFFFAOYSA-N
Mol Weight 291.37 g/mol
Molecular Formula C18H13NOS
Exact Mass 291.071785 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Ih2Gu0HHHhd
Name 4-(Benzyloxy)benz[cd]indole-2(1H)-tione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.071785216 u
Formula C18H13NOS
InChI InChI=1S/C18H13NOS/c21-18-15-10-14(20-11-12-5-2-1-3-6-12)9-13-7-4-8-16(19-18)17(13)15/h1-10H,11H2,(H,19,21)
InChIKey OEKMFFFWQYQFLJ-UHFFFAOYSA-N
Molecular Weight 291.368 g/mol
SMILES N1C(C=2C=3C1=CC=CC3C=C(C2)OCC=1C=CC=CC1)=S
Spectrum/Structure Validation Score (Raman) 0.900465