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(R)-1-Acetyl-2-allyl-2-(2-bromobenzyl)indolin-3-one
SpectraBase Compound ID DbigZuLyH9O
InChI InChI=1S/C20H18BrNO2/c1-3-12-20(13-15-8-4-6-10-17(15)21)19(24)16-9-5-7-11-18(16)22(20)14(2)23/h3-12H,13H2,1-2H3/b12-3+/t20-/m0/s1
InChIKey UIZAKBSWZDNVMW-JTCBWTOWSA-N
Mol Weight 384.27 g/mol
Molecular Formula C20H18BrNO2
Exact Mass 383.052092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8adG2r1jcBx
Name (R)-1-Acetyl-2-allyl-2-(2-bromobenzyl)indolin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.052091822 u
Formula C20H18BrNO2
InChI InChI=1S/C20H18BrNO2/c1-3-12-20(13-15-8-4-6-10-17(15)21)19(24)16-9-5-7-11-18(16)22(20)14(2)23/h3-12H,13H2,1-2H3/b12-3+/t20-/m0/s1
InChIKey UIZAKBSWZDNVMW-JTCBWTOWSA-N
Molecular Weight 384.273 g/mol
SMILES [C@@]1(N(C2=CC=CC=C2C1=O)C(=O)C)(CC1=C(Br)C=CC=C1)\C=C\C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820442