| SpectraBase Spectrum ID |
6Mpw5RQr893 |
| Name |
1-Acetyl-5-bromo-2,3-diacetoxyindoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.005535550 u |
| Formula |
C14H14BrNO5 |
| InChI |
InChI=1S/C14H14BrNO5/c1-7(17)16-12-5-4-10(15)6-11(12)13(20-8(2)18)14(16)21-9(3)19/h4-6,13-14H,1-3H3 |
| InChIKey |
NVBRLGSXFLJFCW-UHFFFAOYSA-N |
| Molecular Weight |
356.172 g/mol |
| SMILES |
C1(N(C2=C(C1OC(=O)C)C=C(C=C2)Br)C(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881941 |
