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7-Iodo-1,3-diphenyl-1,4-dihydro-1,2,4-benzotriazin-4-yl

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

7-Iodo-1,3-diphenyl-1,4-dihydro-1,2,4-benzotriazin-4-yl
SpectraBase Compound ID 1MX4Kvgy9Wu
InChI InChI=1S/C19H13IN3/c20-15-11-12-17-18(13-15)23(16-9-5-2-6-10-16)22-19(21-17)14-7-3-1-4-8-14/h1-13H
InChIKey GXNBRCMFQSDCIK-UHFFFAOYSA-N
Mol Weight 411.25 g/mol
Molecular Formula C19H14IN3
Exact Mass 411.023242 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID hvkP15DZbK
Name 7-Iodo-1,3-diphenyl-1,4-dihydro-1,2,4-benzotriazin-4-yl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.015417431 u
Formula C19H13IN3
InChI InChI=1S/C19H13IN3/c20-15-11-12-17-18(13-15)23(16-9-5-2-6-10-16)22-19(21-17)14-7-3-1-4-8-14/h1-13H
InChIKey GXNBRCMFQSDCIK-UHFFFAOYSA-N
Molecular Weight 410.238 g/mol
SMILES C1(=NN(C=2C([N]1)=CC=C(C2)I)C1=CC=CC=C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910029