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11-Phenylthiochromeno[2,3-b]indole

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

11-Phenylthiochromeno[2,3-b]indole
SpectraBase Compound ID GM5u4YLsYeN
InChI InChI=1S/C21H13NS/c1-2-8-14(9-3-1)19-16-11-5-7-13-18(16)23-21-20(19)15-10-4-6-12-17(15)22-21/h1-13H
InChIKey BWVJPMGHOQSLME-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C21H13NS
Exact Mass 311.076871 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3qA9in2eg2L
Name 11-Phenylthiochromeno[2,3-B]indole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.076870597 u
Formula C21H13NS
InChI InChI=1S/C21H13NS/c1-2-8-14(9-3-1)19-16-11-5-7-13-18(16)23-21-20(19)15-10-4-6-12-17(15)22-21/h1-13H
InChIKey BWVJPMGHOQSLME-UHFFFAOYSA-N
Molecular Weight 311.402 g/mol
SMILES C12=NC3=CC=CC=C3C2=C(C=2C=CC=CC2S1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8996