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 |