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4-Iodo-11-phenylthiochromeno[2,3-b]indole

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

4-Iodo-11-phenylthiochromeno[2,3-b]indole
SpectraBase Compound ID JNePvxvyrAX
InChI InChI=1S/C21H12INS/c22-16-11-6-10-15-18(13-7-2-1-3-8-13)19-14-9-4-5-12-17(14)23-21(19)24-20(15)16/h1-12H
InChIKey KTSAHWRQYARIDE-UHFFFAOYSA-N
Mol Weight 437.3 g/mol
Molecular Formula C21H12INS
Exact Mass 436.973516 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ErhttK947KK
Name 4-Iodo-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 436.973515564 u
Formula C21H12INS
InChI InChI=1S/C21H12INS/c22-16-11-6-10-15-18(13-7-2-1-3-8-13)19-14-9-4-5-12-17(14)23-21(19)24-20(15)16/h1-12H
InChIKey KTSAHWRQYARIDE-UHFFFAOYSA-N
Molecular Weight 437.298 g/mol
SMILES C12=NC3=CC=CC=C3C2=C(C=2C=CC=C(C2S1)I)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82403